@MOLECULE DB03509 30 32 1 SMALL USER_CHARGES @ATOM 1 Cl1 7.7294 2.3811 0.3954 Cl 1 noname -0.0825 2 C1 6.0606 2.1458 0.3202 C.2 1 noname -0.0011 3 C2 5.5439 1.0416 -0.3476 C.2 1 noname -0.0183 4 C3 5.2024 3.0560 0.9259 C.2 1 noname -0.0183 5 C4 4.1688 0.8477 -0.4096 C.2 1 noname -0.0204 6 C5 3.8274 2.8621 0.8639 C.2 1 noname -0.0204 7 C6 3.3106 1.7580 0.1962 C.2 1 noname -0.0249 8 C7 1.9356 1.5641 0.1342 C.2 1 noname 0.0465 9 N1 1.4365 0.3224 0.0644 N.2 1 noname -0.2157 10 C8 1.0783 2.6581 0.1445 C.2 1 noname 0.0342 11 C9 0.1110 0.1355 0.0046 C.2 1 noname 0.0751 12 N2 -0.2473 2.4712 0.0848 N.2 1 noname -0.2209 13 C10 -0.7464 1.2296 0.0150 C.2 1 noname 0.0624 14 C11 -0.4067 -1.1525 -0.0677 C.2 1 noname 0.0331 15 C12 -2.1214 1.0357 -0.0470 C.2 1 noname 0.0006 16 C13 0.4506 -2.2465 -0.0781 C.2 1 noname 0.0206 17 C14 -1.7817 -1.3464 -0.1297 C.2 1 noname -0.0148 18 C15 -2.6391 -0.2523 -0.1194 C.2 1 noname -0.0386 19 O1 -0.0149 -3.4048 -0.1431 O.2 1 noname -0.2950 20 N3 1.7762 -2.0596 -0.0183 N.3 1 noname -0.0861 21 H1 6.2169 0.3278 -0.8226 H 1 noname 0.0638 22 H2 5.6076 3.9219 1.4495 H 1 noname 0.0638 23 H3 3.7636 -0.0181 -0.9332 H 1 noname 0.0630 24 H4 3.1543 3.5759 1.3389 H 1 noname 0.0630 25 H5 1.4520 3.6805 0.2005 H 1 noname 0.0862 26 H6 -2.7937 1.8936 -0.0389 H 1 noname 0.0646 27 H7 -2.1877 -2.3564 -0.1864 H 1 noname 0.0631 28 H8 -3.7173 -0.4044 -0.1680 H 1 noname 0.0623 29 H9 2.3979 -2.8553 0.0042 H 1 noname 0.1274 30 H10 2.1536 -1.1230 0.0042 H 1 noname 0.1274 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 4 6 2 6 5 7 2 7 6 7 1 8 7 8 1 9 8 9 2 10 8 10 1 11 9 11 1 12 10 12 2 13 11 13 1 14 11 14 2 15 12 13 1 16 13 15 2 17 14 16 1 18 14 17 1 19 15 18 1 20 16 19 2 21 16 20 1 22 17 18 2 23 3 21 1 24 4 22 1 25 5 23 1 26 6 24 1 27 10 25 1 28 15 26 1 29 17 27 1 30 18 28 1 31 20 29 1 32 20 30 1 @SUBSTRUCTURE 1 noname 1