@MOLECULE 72941995 42 44 1 SMALL USER_CHARGES @ATOM 1 Cl1 -1.7484 -2.1052 0.4017 Cl 1 noname -0.0680 2 Cl2 -3.2349 -4.4166 -0.8665 Cl 1 noname -0.0725 3 N1 1.9347 3.2997 -0.5243 N.3 1 noname -0.0583 4 N2 2.4702 5.7076 -1.7128 N.3 1 noname -0.3091 5 N3 1.4646 1.7814 -2.2095 N.2 1 noname -0.2464 6 N4 0.8517 1.3582 -0.0036 N.2 1 noname -0.2690 7 N5 0.7084 0.8569 -3.9774 N.3 1 noname -0.1119 8 C1 3.6240 4.9992 -1.0838 C.3 1 noname 0.0175 9 C2 1.0709 5.3713 -1.3329 C.3 1 noname 0.0175 10 C3 0.9581 4.3101 -0.2101 C.3 1 noname 0.0212 11 C4 3.3317 3.5613 -0.5509 C.3 1 noname 0.0212 12 C5 0.2660 6.6279 -0.9417 C.3 1 noname -0.0485 13 C6 4.7685 4.9689 -2.1216 C.3 1 noname -0.0485 14 C7 1.4714 2.1129 -0.9048 C.2 1 noname 0.0816 15 C8 0.7334 0.7403 -2.6394 C.2 1 noname 0.0476 16 C9 0.0168 -0.1504 -1.7576 C.2 1 noname -0.0234 17 C10 0.1675 0.2662 -0.3968 C.2 1 noname 0.0193 18 C11 -0.7987 -1.3298 -2.1527 C.2 1 noname 0.0025 19 C12 -1.5777 -2.2076 -1.2913 C.2 1 noname 0.0323 20 C13 -0.8545 -1.7064 -3.5247 C.2 1 noname -0.0347 21 C14 -2.3175 -3.3110 -1.7996 C.2 1 noname 0.0221 22 C15 -1.6169 -2.7764 -4.0376 C.2 1 noname -0.0459 23 C16 -2.3373 -3.5839 -3.1640 C.2 1 noname -0.0183 24 H1 0.6154 4.9571 -2.2415 H 1 noname 0.0475 25 H2 3.9412 5.6042 -0.2304 H 1 noname 0.0475 26 H3 -0.0761 3.9444 -0.2026 H 1 noname 0.0451 27 H4 1.1594 4.7084 0.7876 H 1 noname 0.0451 28 H5 3.7069 3.4434 0.4695 H 1 noname 0.0451 29 H6 3.8534 2.8074 -1.1610 H 1 noname 0.0451 30 H7 2.6031 6.7007 -1.5251 H 1 noname 0.1228 31 H8 5.6363 4.4462 -1.7134 H 1 noname 0.0247 32 H9 4.4367 4.4452 -3.0227 H 1 noname 0.0247 33 H10 5.0628 5.9829 -2.3876 H 1 noname 0.0247 34 H11 -0.7698 6.3605 -0.7108 H 1 noname 0.0247 35 H12 0.2626 7.3440 -1.7631 H 1 noname 0.0247 36 H13 0.7135 7.0913 -0.0615 H 1 noname 0.0247 37 H14 -0.2331 -0.1710 0.3980 H 1 noname 0.0848 38 H15 -0.0238 0.5253 -4.5016 H 1 noname 0.1258 39 H16 0.8934 1.7763 -4.2253 H 1 noname 0.1258 40 H17 -0.3339 -1.2468 -4.2610 H 1 noname 0.0629 41 H18 -1.6412 -2.9794 -5.0436 H 1 noname 0.0623 42 H19 -2.8672 -4.3754 -3.5394 H 1 noname 0.0638 @BOND 1 1 19 1 2 2 21 1 3 3 10 1 4 3 11 1 5 3 14 1 6 4 8 1 7 4 9 1 8 4 30 1 9 5 14 1 10 5 15 2 11 6 14 2 12 6 17 1 13 7 15 1 14 7 38 1 15 7 39 1 16 8 11 1 17 8 13 1 18 8 25 1 19 9 10 1 20 9 12 1 21 9 24 1 22 10 26 1 23 10 27 1 24 11 28 1 25 11 29 1 26 12 34 1 27 12 35 1 28 12 36 1 29 13 31 1 30 13 32 1 31 13 33 1 32 15 16 1 33 16 17 2 34 16 18 1 35 17 37 1 36 18 19 2 37 18 20 1 38 19 21 1 39 20 22 2 40 20 40 1 41 21 23 2 42 22 23 1 43 22 41 1 44 23 42 1 @SUBSTRUCTURE 1 noname 1