@MOLECULE 136481 51 56 1 SMALL USER_CHARGES @ATOM 1 F1 1.5641 -0.6228 6.9775 F 1 noname -0.1578 2 C1 2.0069 0.1660 6.0425 C.2 1 noname 0.0652 3 C2 3.2240 0.9072 6.2130 C.2 1 noname 0.0404 4 C3 1.3017 0.3219 4.8196 C.2 1 noname 0.0262 5 C4 3.8372 0.9891 7.4814 C.2 1 noname 0.0921 6 C5 3.7873 1.7327 5.1885 C.2 1 noname 0.0010 7 C6 1.8201 1.1982 3.8012 C.2 1 noname -0.0041 8 N1 5.0753 1.4503 7.7407 N.2 1 noname -0.2705 9 N2 3.2150 0.7828 8.6524 N.2 1 noname -0.1846 10 C7 3.0716 1.8820 3.9829 C.2 1 noname -0.0277 11 C8 1.1087 1.4124 2.5690 C.2 1 noname 0.0614 12 N3 5.2004 1.5758 9.0169 N.3 1 noname -0.0026 13 C9 4.0660 1.1734 9.6077 C.2 1 noname -0.0102 14 C10 1.4791 2.1520 1.4600 C.2 1 noname 0.0214 15 C11 -0.1505 0.9213 2.1844 C.2 1 noname 0.0444 16 N4 2.6153 2.8543 1.2065 N.2 1 noname -0.1905 17 N5 0.5149 2.1193 0.5164 N.3 1 noname -0.0573 18 N6 -0.4537 1.3764 0.9533 N.2 1 noname -0.2970 19 C12 2.7929 3.5314 0.0331 C.2 1 noname 0.0804 20 C13 0.5979 2.7662 -0.6844 C.2 1 noname -0.0349 21 N7 3.9971 4.1819 -0.0979 N.3 1 noname -0.0672 22 C14 1.7726 3.5134 -0.9694 C.2 1 noname 0.0220 23 C15 4.7226 4.6394 1.0405 C.2 1 noname 0.1415 24 C16 4.8011 4.2870 -1.2753 C.3 1 noname 0.0921 25 O1 4.2918 5.2507 2.0421 O.2 1 noname -0.2289 26 O2 6.0599 4.2300 0.7591 O.3 1 noname -0.1843 27 C17 4.6606 5.6129 -1.9596 C.2 1 noname 0.0151 28 C18 6.1903 3.9968 -0.6582 C.3 1 noname 0.0800 29 N8 4.1667 5.6484 -3.2577 N.2 1 noname -0.2343 30 C19 4.9663 6.8473 -1.3021 C.2 1 noname -0.0064 31 C20 3.9493 6.8016 -3.9923 C.2 1 noname 0.0346 32 C21 4.7620 8.0639 -2.0048 C.2 1 noname -0.0036 33 C22 4.2620 8.0240 -3.3366 C.2 1 noname 0.0253 34 C23 4.0634 9.2802 -4.0537 C.3 1 noname 0.4175 35 F2 5.2103 9.6066 -4.7301 F 1 noname -0.1660 36 F3 3.7618 10.2743 -3.1590 F 1 noname -0.1660 37 F4 3.0314 9.1393 -4.9452 F 1 noname -0.1660 38 H1 0.3720 -0.2254 4.6641 H 1 noname 0.0660 39 H2 4.7435 2.2382 5.3239 H 1 noname 0.0631 40 H3 3.4815 2.5194 3.1994 H 1 noname 0.0629 41 H4 6.0329 1.9247 9.4699 H 1 noname 0.1766 42 H5 3.8695 1.1652 10.6798 H 1 noname 0.1028 43 H6 -0.8061 0.2724 2.7650 H 1 noname 0.0864 44 H7 -0.2351 2.6897 -1.3832 H 1 noname 0.0815 45 H8 1.8858 4.0476 -1.9128 H 1 noname 0.0670 46 H9 4.4812 3.6175 -2.0738 H 1 noname 0.0569 47 H10 6.4069 2.9349 -0.7751 H 1 noname 0.0594 48 H11 6.8962 4.7408 -1.0273 H 1 noname 0.0594 49 H12 5.3489 6.8606 -0.2815 H 1 noname 0.0642 50 H13 3.5615 6.7509 -5.0097 H 1 noname 0.0845 51 H14 4.9865 9.0177 -1.5273 H 1 noname 0.0630 @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 11 1 11 7 10 1 12 8 12 1 13 9 13 2 14 11 14 2 15 11 15 1 16 12 13 1 17 14 16 1 18 14 17 1 19 15 18 2 20 16 19 2 21 17 20 1 22 17 18 1 23 19 21 1 24 19 22 1 25 20 22 2 26 21 23 1 27 24 21 1 28 23 25 2 29 23 26 1 30 24 27 1 31 24 28 1 32 26 28 1 33 27 29 2 34 27 30 1 35 29 31 1 36 30 32 2 37 31 33 2 38 32 33 1 39 33 34 1 40 34 35 1 41 34 36 1 42 34 37 1 43 4 38 1 44 6 39 1 45 10 40 1 46 12 41 1 47 13 42 1 48 15 43 1 49 20 44 1 50 22 45 1 51 24 46 1 52 28 47 1 53 28 48 1 54 30 49 1 55 31 50 1 56 32 51 1 @SUBSTRUCTURE 1 noname 1