@MOLECULE DB01206 31 31 1 SMALL USER_CHARGES @ATOM 1 Cl1 0.1906 -1.5986 5.3813 Cl 1 noname -0.1251 2 C1 -0.9650 -1.1399 4.1398 C.3 1 noname 0.0377 3 C2 -1.0424 -2.2430 3.0825 C.3 1 noname 0.0465 4 N1 -1.9697 -1.8749 2.0862 N.3 1 noname 0.1381 5 N2 -3.1777 -2.1939 2.2047 N.2 1 noname -0.0567 6 C3 -1.5612 -1.1845 1.0128 C.2 1 noname 0.0328 7 O1 -3.4702 -3.1658 2.7765 O.2 1 noname -0.1624 8 O2 -2.3834 -0.8582 0.1296 O.2 1 noname -0.2757 9 N3 -0.2714 -0.8440 0.8863 N.3 1 noname -0.0559 10 C4 0.1584 -0.1175 -0.2431 C.3 1 noname 0.0154 11 C5 1.2382 -0.9485 -1.0192 C.3 1 noname -0.0373 12 C6 0.5365 1.3435 0.1874 C.3 1 noname -0.0373 13 C7 2.3217 -0.0968 -1.7461 C.3 1 noname -0.0518 14 C8 2.0690 1.6207 0.2806 C.3 1 noname -0.0518 15 C9 2.9250 1.0827 -0.9125 C.3 1 noname -0.0532 16 H1 -1.9639 -1.1128 4.5752 H 1 noname 0.0449 17 H2 -0.5824 -0.2742 3.5992 H 1 noname 0.0449 18 H3 -0.0792 -2.2954 2.5749 H 1 noname 0.0470 19 H4 -1.4606 -3.1339 3.5509 H 1 noname 0.0470 20 H5 0.3597 -1.1272 1.6223 H 1 noname 0.1327 21 H6 -0.7059 -0.0365 -0.9023 H 1 noname 0.0469 22 H7 1.7756 -1.5170 -0.2602 H 1 noname 0.0282 23 H8 0.6985 -1.4695 -1.8099 H 1 noname 0.0282 24 H9 0.1708 1.9910 -0.6096 H 1 noname 0.0282 25 H10 0.1566 1.4607 1.2023 H 1 noname 0.0282 26 H11 3.1513 -0.7798 -1.9289 H 1 noname 0.0267 27 H12 1.8063 0.3715 -2.5846 H 1 noname 0.0267 28 H13 2.1699 2.7055 0.2460 H 1 noname 0.0267 29 H14 2.4106 1.0692 1.1565 H 1 noname 0.0267 30 H15 3.8268 0.6761 -0.4548 H 1 noname 0.0266 31 H16 2.9966 1.9172 -1.6101 H 1 noname 0.0266 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 4 6 1 6 5 7 2 7 6 8 2 8 6 9 1 9 9 10 1 10 10 11 1 11 10 12 1 12 11 13 1 13 12 14 1 14 13 15 1 15 14 15 1 16 2 16 1 17 2 17 1 18 3 18 1 19 3 19 1 20 9 20 1 21 10 21 1 22 11 22 1 23 11 23 1 24 12 24 1 25 12 25 1 26 13 26 1 27 13 27 1 28 14 28 1 29 14 29 1 30 15 30 1 31 15 31 1 @SUBSTRUCTURE 1 noname 1