@MOLECULE DB06237 60 63 1 SMALL USER_CHARGES @ATOM 1 Cl1 9.3261 1.0455 -1.8750 Cl 1 noname -0.0704 2 C1 7.7758 1.6773 -2.0827 C.2 1 noname 0.0159 3 C2 7.5507 2.8134 -2.9387 C.2 1 noname 0.0302 4 C3 6.6581 1.1008 -1.4163 C.2 1 noname -0.0119 5 O1 8.6012 3.3696 -3.5787 O.3 1 noname -0.2694 6 C4 6.2381 3.3737 -3.1322 C.2 1 noname -0.0195 7 C5 5.3556 1.6476 -1.6064 C.2 1 noname -0.0509 8 C6 8.7718 2.7431 -4.8415 C.3 1 noname 0.0424 9 C7 5.1336 2.7823 -2.4566 C.2 1 noname -0.0419 10 C8 4.3017 0.9346 -0.8719 C.3 1 noname 0.0266 11 N1 3.0080 1.4542 -1.0963 N.3 1 noname -0.0925 12 C9 1.9062 0.9855 -0.4898 C.2 1 noname 0.0747 13 N2 1.5827 -0.3094 -0.7125 N.2 1 noname -0.2353 14 C10 1.1470 1.8165 0.3737 C.2 1 noname 0.0021 15 C11 0.5672 -0.8793 -0.0231 C.2 1 noname 0.0944 16 C12 1.4768 3.2425 0.5752 C.2 1 noname 0.0240 17 C13 0.0649 1.1985 1.0454 C.2 1 noname 0.0465 18 N3 -0.1792 -0.1211 0.8379 N.2 1 noname -0.2586 19 N4 0.4042 -2.2200 -0.1225 N.3 1 noname -0.0540 20 O2 1.8570 4.0216 -0.3253 O.2 1 noname -0.2917 21 N5 1.2962 3.6099 1.9679 N.3 1 noname -0.0692 22 C14 1.3859 -3.1646 0.3388 C.3 1 noname 0.0405 23 C15 -0.8441 -2.7677 -0.4924 C.3 1 noname 0.0064 24 C16 1.5725 5.0112 2.1883 C.3 1 noname 0.0632 25 C17 0.7447 -4.5266 0.1145 C.3 1 noname -0.0336 26 C18 2.7888 -3.1797 -0.3068 C.3 1 noname 0.0592 27 C19 -0.7362 -4.2547 -0.1640 C.3 1 noname -0.0383 28 C20 1.1800 5.3114 3.5540 C.2 1 noname 0.0705 29 O3 3.5807 -4.1870 0.3052 O.3 1 noname -0.3946 30 N6 1.3785 6.5656 4.0543 N.2 1 noname -0.2098 31 N7 0.6058 4.3751 4.3743 N.2 1 noname -0.2098 32 C21 1.0236 6.8984 5.3350 C.2 1 noname 0.0193 33 C22 0.2263 4.6305 5.6579 C.2 1 noname 0.0193 34 C23 0.4262 5.9293 6.1958 C.2 1 noname 0.0087 35 H1 6.7996 0.2414 -0.7609 H 1 noname 0.0642 36 H2 6.0824 4.2349 -3.7820 H 1 noname 0.0650 37 H3 8.7548 1.6605 -4.7153 H 1 noname 0.0535 38 H4 7.9639 3.0438 -5.5085 H 1 noname 0.0535 39 H5 9.7279 3.0438 -5.2701 H 1 noname 0.0535 40 H6 4.1324 3.1925 -2.5883 H 1 noname 0.0626 41 H7 4.2744 -0.0795 -1.2706 H 1 noname 0.0482 42 H8 4.4944 1.0983 0.1883 H 1 noname 0.0482 43 H9 2.8595 2.2188 -1.7393 H 1 noname 0.1300 44 H10 -0.5863 1.7436 1.7287 H 1 noname 0.0849 45 H11 1.0129 2.9687 2.6950 H 1 noname 0.1318 46 H12 1.5551 -2.8319 1.3629 H 1 noname 0.0496 47 H13 -1.5875 -2.3142 0.1632 H 1 noname 0.0435 48 H14 -0.9258 -2.6496 -1.5729 H 1 noname 0.0435 49 H15 2.6528 5.1412 2.1239 H 1 noname 0.0516 50 H16 0.9150 5.5774 1.5286 H 1 noname 0.0516 51 H17 1.1793 -4.9464 -0.7927 H 1 noname 0.0284 52 H18 0.8083 -5.0758 1.0539 H 1 noname 0.0284 53 H19 2.6819 -3.4897 -1.3463 H 1 noname 0.0580 54 H20 3.2842 -2.2389 -0.0669 H 1 noname 0.0580 55 H21 -1.2808 -4.4237 0.7650 H 1 noname 0.0280 56 H22 -1.0075 -4.8077 -1.0632 H 1 noname 0.0280 57 H23 3.5181 -4.1074 1.2598 H 1 noname 0.2100 58 H24 1.2138 7.9199 5.6645 H 1 noname 0.0840 59 H25 -0.2225 3.8224 6.2356 H 1 noname 0.0840 60 H26 0.1356 6.1703 7.2183 H 1 noname 0.0654 @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 1 8 6 9 2 9 7 10 1 10 7 9 1 11 10 11 1 12 11 12 1 13 12 13 2 14 12 14 1 15 13 15 1 16 14 16 1 17 14 17 2 18 15 18 2 19 15 19 1 20 16 20 2 21 16 21 1 22 17 18 1 23 19 22 1 24 19 23 1 25 21 24 1 26 22 25 1 27 22 26 1 28 23 27 1 29 24 28 1 30 25 27 1 31 26 29 1 32 28 30 2 33 28 31 1 34 30 32 1 35 31 33 2 36 32 34 2 37 33 34 1 38 4 35 1 39 6 36 1 40 8 37 1 41 8 38 1 42 8 39 1 43 9 40 1 44 10 41 1 45 10 42 1 46 11 43 1 47 17 44 1 48 21 45 1 49 22 46 1 50 23 47 1 51 23 48 1 52 24 49 1 53 24 50 1 54 25 51 1 55 25 52 1 56 26 53 1 57 26 54 1 58 27 55 1 59 27 56 1 60 29 57 1 61 32 58 1 62 33 59 1 63 34 60 1 @SUBSTRUCTURE 1 noname 1