########## Source num : 6 ########## Name : test_06 ########## Description : 2-norbornene ########## Reflect : 0 ########## Energy score : -13.54 ########## intermolecular van der Waals -13.34 ########## intermolecular electrostatic -0.20 ########## RMSD from input orientation (A) : 38.90 @MOLECULE test_06 17 18 1 0 0 SMALL GASTEIGER **** 2-norbornene @ATOM 1 C1 6.8015 31.6610 19.5673 C.3 1 NORBORNENE -0.0223 2 C2 6.5755 31.4878 21.0458 C.2 1 NORBORNENE -0.0846 3 C3 5.8646 32.5320 21.4723 C.2 1 NORBORNENE -0.0846 4 C4 5.6020 33.4217 20.2863 C.3 1 NORBORNENE -0.0223 5 C5 6.9642 34.0636 19.9111 C.3 1 NORBORNENE -0.0462 6 C6 7.7966 32.8416 19.4127 C.3 1 NORBORNENE -0.0462 7 C7 5.4576 32.3297 19.2041 C.3 1 NORBORNENE -0.0405 8 H1 7.0401 30.7384 19.0145 H 1 NORBORNENE 0.0343 9 H2 6.9387 30.6631 21.6581 H 1 NORBORNENE 0.0572 10 H3 5.5414 32.7155 22.4964 H 1 NORBORNENE 0.0572 11 H4 4.7455 34.1068 20.3902 H 1 NORBORNENE 0.0343 12 H5 7.4217 34.5689 20.7774 H 1 NORBORNENE 0.0271 13 H6 6.8203 34.8018 19.1046 H 1 NORBORNENE 0.0271 14 H7 8.0778 32.9579 18.3528 H 1 NORBORNENE 0.0271 15 H8 8.7108 32.6755 20.0062 H 1 NORBORNENE 0.0271 16 H9 4.5851 31.6716 19.3601 H 1 NORBORNENE 0.0277 17 H10 5.4306 32.7307 18.1771 H 1 NORBORNENE 0.0277 @BOND 1 1 2 1 2 1 6 1 3 1 7 1 4 2 3 2 5 3 4 1 6 4 5 1 7 4 7 1 8 5 6 1 9 1 8 1 10 2 9 1 11 3 10 1 12 4 11 1 13 5 12 1 14 5 13 1 15 6 14 1 16 6 15 1 17 7 16 1 18 7 17 1 @SUBSTRUCTURE 1 NORBORNENE 1 PERM 0 **** ****