@MOLECULE 72941966 31 33 1 SMALL USER_CHARGES @ATOM 1 Cl1 2.9329 0.1810 -4.3452 Cl 1 noname -0.1262 2 N1 1.0767 -0.4689 1.4185 N.3 1 noname -0.0868 3 N2 -2.3034 3.9861 -1.3367 N.3 1 noname 0.0183 4 N3 -3.0656 4.9300 -1.7729 N.2 1 noname -0.2520 5 N4 -1.0192 5.5283 -2.2091 N.2 1 noname -0.1976 6 C1 0.0420 0.3639 -0.3642 C.2 1 noname -0.0310 7 C2 1.0921 -0.4029 -0.8463 C.2 1 noname -0.0384 8 C3 0.0741 0.3307 1.0468 C.2 1 noname -0.0919 9 C4 -1.8545 1.8167 -0.2026 C.2 1 noname -0.0389 10 C5 -0.9457 1.1006 -1.0496 C.2 1 noname -0.0329 11 C6 1.4739 -0.6256 -2.2378 C.3 1 noname 0.0234 12 C7 1.7019 -0.9144 0.3033 C.2 1 noname -0.1260 13 C8 -2.8302 2.7901 -0.7172 C.3 1 noname 0.0104 14 C9 -0.8378 1.0112 1.8959 C.2 1 noname -0.0416 15 C10 -1.8223 1.7583 1.2192 C.2 1 noname -0.0439 16 C11 2.4733 0.4490 -2.6706 C.3 1 noname 0.0264 17 C12 -1.0169 4.3474 -1.5820 C.2 1 noname -0.0073 18 C13 -2.3021 5.8850 -2.3161 C.2 1 noname 0.0762 19 H1 -1.0087 1.1224 -2.0674 H 1 noname 0.0633 20 H2 0.5879 -0.5737 -2.8705 H 1 noname 0.0328 21 H3 1.9331 -1.6093 -2.3356 H 1 noname 0.0328 22 H4 2.5087 -1.5385 0.3020 H 1 noname 0.0792 23 H5 1.3161 -0.6925 2.3315 H 1 noname 0.1522 24 H6 -3.5101 2.2922 -1.4085 H 1 noname 0.0541 25 H7 -3.4376 3.1695 0.1045 H 1 noname 0.0541 26 H8 -0.7846 0.9632 2.9134 H 1 noname 0.0642 27 H9 -2.5242 2.2661 1.7576 H 1 noname 0.0626 28 H10 2.0142 1.4327 -2.5728 H 1 noname 0.0438 29 H11 3.3594 0.3971 -2.0379 H 1 noname 0.0438 30 H12 -0.1884 3.8083 -1.3302 H 1 noname 0.1030 31 H13 -2.6442 6.7460 -2.7427 H 1 noname 0.1079 @BOND 1 1 16 1 2 2 8 1 3 2 12 1 4 2 23 1 5 3 4 1 6 3 13 1 7 3 17 1 8 4 18 2 9 5 17 2 10 5 18 1 11 6 7 1 12 6 8 2 13 6 10 1 14 7 11 1 15 7 12 2 16 8 14 1 17 9 10 2 18 9 13 1 19 9 15 1 20 10 19 1 21 11 16 1 22 11 20 1 23 11 21 1 24 12 22 1 25 13 24 1 26 13 25 1 27 14 15 2 28 14 26 1 29 15 27 1 30 16 28 1 31 16 29 1 32 17 30 1 33 18 31 1 @SUBSTRUCTURE 1 noname 1