@MOLECULE 76963140 29 30 1 SMALL USER_CHARGES @ATOM 1 Cl1 -6.5879 -3.5486 1.9175 Cl 1 noname -0.0829 2 O1 3.5670 2.4016 0.3639 O.2 1 noname -0.2493 3 O2 -0.5886 -1.5478 0.2749 O.2 1 noname -0.2682 4 N1 1.1476 0.0625 -0.6148 N.3 1 noname -0.0963 5 N2 -0.6980 0.6627 0.6423 N.3 1 noname 0.0582 6 N3 1.3332 1.7186 0.7011 N.2 1 noname -0.1488 7 N4 -2.5286 -0.7106 1.0290 N.3 1 noname -0.1319 8 C1 2.4770 0.4721 -0.8129 C.3 1 noname 0.0866 9 C2 0.5464 0.8141 0.2620 C.2 1 noname -0.0539 10 C3 2.5827 1.6630 0.1447 C.2 1 noname 0.1775 11 C4 0.4509 0.1195 -1.8393 C.3 1 noname -0.0055 12 C5 -1.2557 -0.5557 0.6399 C.2 1 noname 0.0721 13 C6 -3.0864 -1.9290 1.0266 C.2 1 noname -0.0112 14 C7 -4.4068 -2.0897 1.4302 C.2 1 noname -0.0014 15 C8 -2.3446 -3.0322 0.6207 C.2 1 noname -0.0315 16 C9 -4.9854 -3.3536 1.4277 C.2 1 noname -0.0052 17 C10 -2.9231 -4.2961 0.6183 C.2 1 noname -0.0437 18 C11 -4.2435 -4.4567 1.0218 C.2 1 noname -0.0271 19 H1 2.6014 0.8186 -1.8388 H 1 noname 0.0538 20 H2 3.2436 -0.2476 -0.5257 H 1 noname 0.0538 21 H3 -0.5804 -0.1982 -1.6856 H 1 noname 0.0399 22 H4 0.4636 1.1417 -2.2174 H 1 noname 0.0399 23 H5 0.9308 -0.5410 -2.5614 H 1 noname 0.0399 24 H6 -1.2156 1.4325 0.9256 H 1 noname 0.1411 25 H7 -3.0463 0.0592 1.3123 H 1 noname 0.1385 26 H8 -4.9511 -1.2802 1.7281 H 1 noname 0.0655 27 H9 -1.3756 -2.9143 0.3246 H 1 noname 0.0639 28 H10 -2.3788 -5.1056 0.3204 H 1 noname 0.0623 29 H11 -4.6681 -5.3842 1.0200 H 1 noname 0.0638 @BOND 1 1 16 1 2 2 10 2 3 3 12 2 4 4 8 1 5 4 9 1 6 4 11 1 7 5 9 1 8 5 12 1 9 5 24 1 10 6 9 2 11 6 10 1 12 7 12 1 13 7 13 1 14 7 25 1 15 8 10 1 16 8 19 1 17 8 20 1 18 11 21 1 19 11 22 1 20 11 23 1 21 13 14 2 22 13 15 1 23 14 16 1 24 14 26 1 25 15 17 2 26 15 27 1 27 16 18 2 28 17 18 1 29 17 28 1 30 18 29 1 @SUBSTRUCTURE 1 noname 1