BONDS Cc Cc 146.2445112332696 1.615 C1 C2 361.3556680210325 1.416 C2 C3 426.4952437858508 1.369 C3 C4 343.9863981835564 1.4149999999999998 C4 C5 368.63736496175903 1.399 C5 C6 342.36027844168257 1.4050000000000002 C1 C6 457.1529553059273 1.3619999999999999 Cc C6 229.99446462715102 1.516 C1 H1 403.3618773900573 1.081 C2 H2 401.7145697896749 1.081 C3 H3 399.1394706022944 1.081 C4 C4 2.3900549713193113 6.303 ANGLES Cc Cc C6 70.49335564053537 104.03 Cc Cc C6 70.49335564053537 104.04 C6 Cc C6 64.62234703632888 114.32 C6 Cc C6 64.62234703632888 114.31 Cc C6 C1 77.2626673040153 131.7 Cc C6 C5 24.765200764818353 109.17 C2 C1 C6 83.59849426386232 118.8 C1 C2 C3 75.45850860420649 122.2 C2 C3 C4 55.398733269598466 120.14 C3 C4 C3 94.05792304015296 126.94 C3 C4 C5 79.00509082217972 116.53 C4 C5 C6 57.73816921606119 123.2 C6 C5 C6 125.92421128107074 113.6 C6 C5 C6 125.92421128107074 113.59 C5 C6 C1 41.175812619502864 119.13 C2 C1 H1 39.471414913957936 119.41 C6 C1 H1 36.77060229445507 121.79 C6 C1 H1 36.77060229445507 121.78 C1 C2 H2 41.71928776290631 118.6 C3 C2 H2 36.79228011472275 119.2 C3 C2 H2 36.79228011472275 119.21 C2 C3 H3 41.724474187380494 120.17 C4 C3 H3 32.47531070745698 119.69 DIHEDRALS IMPROPER C6 Cc Cc C6 2.6784177820267687 0 0.0 C6 Cc Cc C6 2.6784177820267687 0 -120.0 C6 Cc Cc C6 2.6784177820267687 0 120.0 C6 Cc Cc C6 2.6784177820267687 0 120.0 C6 Cc Cc C6 2.6784177820267687 0 0.0 C6 Cc Cc C6 2.6784177820267687 0 -120.0 C6 Cc Cc C6 2.6784177820267687 0 -120.0 C6 Cc Cc C6 2.6784177820267687 0 120.0 C6 Cc Cc C6 2.6784177820267687 0 0.0 Cc Cc C6 C1 2.6784177820267687 0 180.0 Cc Cc C6 C5 2.6784177820267687 0 0.0 Cc Cc C6 C1 2.6784177820267687 0 180.0 Cc Cc C6 C5 2.6784177820267687 0 0.0 Cc Cc C6 C1 2.6784177820267687 0 180.0 Cc Cc C6 C5 2.6784177820267687 0 0.0 Cc Cc C6 C5 2.6784177820267687 0 0.0 Cc Cc C6 C1 2.6784177820267687 0 180.0 Cc Cc C6 C5 2.6784177820267687 0 0.0 Cc Cc C6 C1 2.6784177820267687 0 180.0 Cc Cc C6 C5 2.6784177820267687 0 0.0 Cc Cc C6 C1 2.6784177820267687 0 180.0 C2 C1 C6 Cc 2.6784177820267687 0 180.0 C2 C1 C6 Cc 2.6784177820267687 0 180.0 C2 C1 C6 Cc 2.6784177820267687 0 180.0 C2 C1 C6 Cc 2.6784177820267687 0 180.0 C2 C1 C6 Cc 2.6784177820267687 0 180.0 C2 C1 C6 Cc 2.6784177820267687 0 180.0 C4 C5 C6 Cc 2.6784177820267687 0 180.0 C4 C5 C6 Cc 2.6784177820267687 0 180.0 C4 C5 C6 Cc 2.6784177820267687 0 180.0 C4 C5 C6 Cc 2.6784177820267687 0 180.0 C4 C5 C6 Cc 2.6784177820267687 0 180.0 C4 C5 C6 Cc 2.6784177820267687 0 180.0 C6 C5 C6 Cc 2.6784177820267687 0 0.0 C6 C5 C6 Cc 2.6784177820267687 0 0.0 C6 C5 C6 Cc 2.6784177820267687 0 0.0 C6 C5 C6 Cc 2.6784177820267687 0 0.0 C6 C5 C6 Cc 2.6784177820267687 0 0.0 C6 C5 C6 Cc 2.6784177820267687 0 0.0 C6 Cc C6 C1 2.6784177820267687 0 67.2 C6 Cc C6 C1 2.6784177820267687 0 -67.2 C6 Cc C6 C1 2.6784177820267687 0 -67.2 C6 Cc C6 C1 2.6784177820267687 0 67.2 C6 Cc C6 C1 2.6784177820267687 0 67.2 C6 Cc C6 C1 2.6784177820267687 0 -67.2 C6 Cc C6 C1 2.6784177820267687 0 67.2 C6 Cc C6 C1 2.6784177820267687 0 -67.2 C6 Cc C6 C1 2.6784177820267687 0 67.2 C6 Cc C6 C1 2.6784177820267687 0 -67.2 C6 Cc C6 C1 2.6784177820267687 0 -67.2 C6 Cc C6 C1 2.6784177820267687 0 67.2 C6 Cc C6 C5 2.6784177820267687 0 -112.8 C6 Cc C6 C5 2.6784177820267687 0 112.8 C6 Cc C6 C5 2.6784177820267687 0 112.8 C6 Cc C6 C5 2.6784177820267687 0 -112.8 C6 Cc C6 C5 2.6784177820267687 0 -112.8 C6 Cc C6 C5 2.6784177820267687 0 112.8 C6 Cc C6 C5 2.6784177820267687 0 -112.8 C6 Cc C6 C5 2.6784177820267687 0 112.8 C6 Cc C6 C5 2.6784177820267687 0 -112.8 C6 Cc C6 C5 2.6784177820267687 0 112.8 C6 Cc C6 C5 2.6784177820267687 0 -112.8 C6 Cc C6 C5 2.6784177820267687 0 112.8 C6 C1 C2 C3 8.104565009560229 0 0.0 C6 C1 C2 C3 8.104565009560229 0 0.0 C6 C1 C2 C3 8.104565009560229 0 0.0 C3 C2 C1 C6 8.104565009560229 0 0.0 C3 C2 C1 C6 8.104565009560229 0 0.0 C3 C2 C1 C6 8.104565009560229 0 0.0 C1 C2 C3 C4 8.104565009560229 0 0.0 C4 C3 C2 C1 8.104565009560229 0 0.0 C1 C2 C3 C4 8.104565009560229 0 0.0 C4 C3 C2 C1 8.104565009560229 0 0.0 C1 C2 C3 C4 8.104565009560229 0 0.0 C4 C3 C2 C1 8.104565009560229 0 0.0 C2 C3 C4 C3 8.104565009560229 0 180.0 C3 C4 C3 C2 8.104565009560229 0 180.0 C2 C3 C4 C3 8.104565009560229 0 180.0 C3 C4 C3 C2 8.104565009560229 0 180.0 C2 C3 C4 C3 8.104565009560229 0 180.0 C3 C4 C3 C2 8.104565009560229 0 180.0 C2 C3 C4 C5 8.104565009560229 0 0.0 C5 C4 C3 C2 8.104565009560229 0 0.0 C5 C4 C3 C2 8.104565009560229 0 0.0 C2 C3 C4 C5 8.104565009560229 0 0.0 C2 C3 C4 C5 8.104565009560229 0 0.0 C5 C4 C3 C2 8.104565009560229 0 0.0 C3 C4 C5 C6 8.104565009560229 0 0.0 C3 C4 C5 C6 8.104565009560229 0 180.0 C3 C4 C5 C6 8.104565009560229 0 180.0 C3 C4 C5 C6 8.104565009560229 0 0.0 C3 C4 C5 C6 8.104565009560229 0 0.0 C3 C4 C5 C6 8.104565009560229 0 180.0 C3 C4 C5 C6 8.104565009560229 0 180.0 C3 C4 C5 C6 8.104565009560229 0 0.0 C3 C4 C5 C6 8.104565009560229 0 0.0 C3 C4 C5 C6 8.104565009560229 0 180.0 C3 C4 C5 C6 8.104565009560229 0 180.0 C3 C4 C5 C6 8.104565009560229 0 0.0 C6 C5 C6 C1 8.104565009560229 0 180.0 C4 C5 C6 C1 8.104565009560229 0 0.0 C6 C5 C6 C1 8.104565009560229 0 180.0 C6 C5 C6 C1 8.104565009560229 0 180.0 C4 C5 C6 C1 8.104565009560229 0 0.0 C6 C5 C6 C1 8.104565009560229 0 180.0 C6 C5 C6 C1 8.104565009560229 0 180.0 C4 C5 C6 C1 8.104565009560229 0 0.0 C6 C5 C6 C1 8.104565009560229 0 180.0 C4 C5 C6 C1 8.104565009560229 0 0.0 C4 C5 C6 C1 8.104565009560229 0 0.0 C4 C5 C6 C1 8.104565009560229 0 0.0 C2 C1 C6 C5 8.104565009560229 0 0.0 C2 C1 C6 C5 8.104565009560229 0 0.0 C2 C1 C6 C5 8.104565009560229 0 0.0 C2 C1 C6 C5 8.104565009560229 0 0.0 C2 C1 C6 C5 8.104565009560229 0 0.0 C2 C1 C6 C5 8.104565009560229 0 0.0 H1 C1 C6 Cc 3.938097514340344 0 0.0 H1 C1 C6 Cc 3.938097514340344 0 0.0 H1 C1 C6 Cc 3.938097514340344 0 0.0 H1 C1 C6 Cc 3.938097514340344 0 0.0 H1 C1 C6 Cc 3.938097514340344 0 0.0 H1 C1 C6 Cc 3.938097514340344 0 0.0 H1 C1 C2 C3 4.950645315487572 0 180.0 H1 C1 C2 C3 4.950645315487572 0 180.0 H1 C1 C2 C3 4.950645315487572 0 180.0 C3 C2 C1 H1 4.950645315487572 0 180.0 C3 C2 C1 H1 4.950645315487572 0 180.0 C3 C2 C1 H1 4.950645315487572 0 180.0 C6 C1 C2 H2 4.402963671128107 0 180.0 H2 C2 C1 C6 4.402963671128107 0 180.0 C6 C1 C2 H2 4.402963671128107 0 180.0 H2 C2 C1 C6 4.402963671128107 0 180.0 C6 C1 C2 H2 4.402963671128107 0 180.0 H2 C2 C1 C6 4.402963671128107 0 180.0 H2 C2 C3 C4 9.64961759082218 0 180.0 C4 C3 C2 H2 9.64961759082218 0 180.0 C4 C3 C2 H2 9.64961759082218 0 180.0 H2 C2 C3 C4 9.64961759082218 0 180.0 C4 C3 C2 H2 9.64961759082218 0 180.0 H2 C2 C3 C4 9.64961759082218 0 180.0 C1 C2 C3 H3 9.441443594646271 0 180.0 H3 C3 C2 C1 9.441443594646271 0 180.0 C1 C2 C3 H3 9.441443594646271 0 180.0 H3 C3 C2 C1 9.441443594646271 0 180.0 C1 C2 C3 H3 9.441443594646271 0 180.0 H3 C3 C2 C1 9.441443594646271 0 180.0 C3 C4 C3 H3 3.3127390057361374 0 0.0 H3 C3 C4 C3 3.3127390057361374 0 0.0 H3 C3 C4 C3 3.3127390057361374 0 0.0 C3 C4 C3 H3 3.3127390057361374 0 0.0 H3 C3 C4 C3 3.3127390057361374 0 0.0 C3 C4 C3 H3 3.3127390057361374 0 0.0 H3 C3 C4 C5 5.77664913957935 0 180.0 C5 C4 C3 H3 5.77664913957935 0 180.0 H3 C3 C4 C5 5.77664913957935 0 180.0 C5 C4 C3 H3 5.77664913957935 0 180.0 H3 C3 C4 C5 5.77664913957935 0 180.0 C5 C4 C3 H3 5.77664913957935 0 180.0 H1 C1 C6 C5 9.551505736137667 0 180.0 H1 C1 C6 C5 9.551505736137667 0 180.0 H1 C1 C6 C5 9.551505736137667 0 180.0 H1 C1 C6 C5 9.551505736137667 0 180.0 H1 C1 C6 C5 9.551505736137667 0 180.0 H1 C1 C6 C5 9.551505736137667 0 180.0 H1 C1 C2 H2 2.708413001912046 0 0.0 H2 C2 C1 H1 2.708413001912046 0 0.0 H1 C1 C2 H2 2.708413001912046 0 0.0 H2 C2 C1 H1 2.708413001912046 0 0.0 H1 C1 C2 H2 2.708413001912046 0 0.0 H2 C2 C1 H1 2.708413001912046 0 0.0 H2 C2 C3 H3 5.293857552581262 0 0.0 H3 C3 C2 H2 5.293857552581262 0 0.0 H2 C2 C3 H3 5.293857552581262 0 0.0 H3 C3 C2 H2 5.293857552581262 0 0.0 H2 C2 C3 H3 5.293857552581262 0 0.0 H3 C3 C2 H2 5.293857552581262 0 0.0 H1 C2 C6 C1 12.510516252390056 0 0.0 H1 C2 C6 C1 12.510516252390056 0 0.0 H1 C2 C6 C1 12.510516252390056 0 0.0 H1 C2 C6 C1 12.510516252390056 0 0.0 H1 C2 C6 C1 12.510516252390056 0 0.0 H1 C2 C6 C1 12.510516252390056 0 0.0 H2 C1 C3 C2 14.462595602294455 0 0.0 H2 C3 C1 C2 14.466061185468451 0 0.0 H2 C1 C3 C2 14.462595602294455 0 0.0 H2 C3 C1 C2 14.466061185468451 0 0.0 H2 C1 C3 C2 14.462595602294455 0 0.0 H2 C3 C1 C2 14.466061185468451 0 0.0 H3 C2 C4 C3 6.063814531548757 0 0.0 H3 C2 C4 C3 6.063814531548757 0 0.0 H3 C4 C2 C3 6.0647705544933075 0 0.0 H3 C4 C2 C3 6.0647705544933075 0 0.0 H3 C2 C4 C3 6.063814531548757 0 0.0 H3 C4 C2 C3 6.0647705544933075 0 0.0 C3 C3 C5 C4 6.508006692160612 0 0.0 C3 C3 C5 C4 6.508006692160612 0 0.0 C3 C3 C5 C4 6.508006692160612 0 0.0 C6 C4 C6 C5 6.508006692160612 0 0.0 C6 C4 C6 C5 6.508006692160612 0 0.0 C6 C4 C6 C5 6.508006692160612 0 0.0 C6 Cc C1 C5 2.6784177820267687 0 0.0 C6 Cc C1 C5 2.6784177820267687 0 0.0 C6 Cc C1 C5 2.6784177820267687 0 0.0 C6 Cc C5 C1 2.6784177820267687 0 0.0 C6 Cc C5 C1 2.6784177820267687 0 0.0 C6 Cc C5 C1 2.6784177820267687 0 0.0 C6 C6 C6 C6 1.3536089866156786 0 180.0 C6 C6 C6 C6 1.3536089866156786 0 180.0 C6 C6 C6 C6 1.3536089866156786 0 180.0 NONBONDED Cc 0.0000 0.009321223709369025 1.9755303625547198 C1 0.0000 0.009321223709369025 1.9755303625547198 C2 0.0000 0.009321223709369025 1.9755303625547198 C3 0.0000 0.009321223709369025 1.9755303625547198 C4 0.0000 0.009321223709369025 1.9755303625547198 C5 0.0000 0.009321223709369025 1.9755303625547198 C6 0.0000 0.009321223709369025 1.9755303625547198 H1 0.0000 0.006453154875717017 1.341340217757324 H2 0.0000 0.006453154875717017 1.341340217757324 H3 0.0000 0.006453154875717017 1.341340217757324 END