@MOLECULE DB01068 32 34 1 SMALL USER_CHARGES @ATOM 1 Cl1 -1.9351 -2.3544 1.5795 Cl 1 noname -0.0770 2 C1 -2.4595 -0.7764 1.2953 C.2 1 noname 0.0099 3 C2 -1.7337 0.0558 0.4510 C.2 1 noname 0.0016 4 C3 -3.6174 -0.3083 1.9055 C.2 1 noname -0.0212 5 C4 -0.6008 -0.4022 -0.1460 C.2 1 noname 0.0158 6 C5 -2.1658 1.3560 0.2169 C.2 1 noname -0.0276 7 C6 -4.0495 0.9919 1.6714 C.2 1 noname -0.0455 8 N1 -0.5886 -1.6691 -0.3857 N.2 1 noname -0.2511 9 C7 0.3493 0.5596 -0.3979 C.2 1 noname 0.0207 10 C8 -3.3237 1.8241 0.8271 C.2 1 noname -0.0517 11 C9 0.3674 -2.4024 -1.0768 C.3 1 noname 0.1136 12 C10 1.7548 0.2429 -0.3838 C.2 1 noname 0.0332 13 C11 -0.1023 1.9055 -0.5608 C.2 1 noname 0.0563 14 C12 1.7572 -2.3215 -0.4175 C.2 1 noname 0.1407 15 N2 2.3073 -1.0000 -0.2412 N.3 1 noname -0.1269 16 C13 2.7134 1.2773 -0.5195 C.2 1 noname -0.0018 17 C14 0.8716 2.9319 -0.7203 C.2 1 noname 0.0398 18 O1 2.3748 -3.3459 -0.0548 O.2 1 noname -0.2682 19 C15 2.2632 2.6209 -0.6848 C.2 1 noname 0.0396 20 N3 0.4881 4.1662 -0.9004 N.2 1 noname -0.0156 21 O2 -0.5144 4.5381 -0.4379 O.2 1 noname -0.1448 22 O3 1.2050 4.9589 -1.5771 O.3 1 noname -0.1448 23 H1 -4.1866 -0.9608 2.5676 H 1 noname 0.0638 24 H2 -1.5966 2.0086 -0.4452 H 1 noname 0.0630 25 H3 -4.9575 1.3590 2.1499 H 1 noname 0.0623 26 H4 -3.6625 2.8437 0.6435 H 1 noname 0.0622 27 H5 0.0188 -3.4326 -1.0037 H 1 noname 0.0612 28 H6 0.4267 -1.9150 -2.0499 H 1 noname 0.0612 29 H7 -1.1659 2.1439 -0.5633 H 1 noname 0.0654 30 H8 3.2752 -0.9311 0.0388 H 1 noname 0.1371 31 H9 3.7779 1.0436 -0.4972 H 1 noname 0.0640 32 H10 2.9945 3.4229 -0.7855 H 1 noname 0.0647 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 6 1 6 4 7 2 7 5 8 2 8 5 9 1 9 6 10 2 10 7 10 1 11 8 11 1 12 9 12 2 13 9 13 1 14 11 14 1 15 12 15 1 16 12 16 1 17 13 17 2 18 14 18 2 19 14 15 1 20 16 19 2 21 17 20 1 22 17 19 1 23 20 21 2 24 20 22 1 25 4 23 1 26 6 24 1 27 7 25 1 28 10 26 1 29 11 27 1 30 11 28 1 31 13 29 1 32 15 30 1 33 16 31 1 34 19 32 1 @SUBSTRUCTURE 1 noname 1