@MOLECULE DB04685 60 64 1 SMALL USER_CHARGES @ATOM 1 F1 -1.1596 -2.7370 -2.1944 F 1 noname -0.2442 2 C1 -1.6304 -3.0900 -0.9561 C.3 1 noname 0.1324 3 C2 -0.4428 -3.3729 -0.0167 C.3 1 noname 0.1143 4 C3 -2.2910 -1.8986 -0.3115 C.3 1 noname 0.0220 5 O1 -0.2934 -2.2728 0.8807 O.3 1 noname -0.3534 6 C4 -0.7169 -4.6489 0.7818 C.3 1 noname 0.0780 7 C5 -1.0661 -1.2153 0.2782 C.3 1 noname 0.1253 8 O2 0.3779 -4.9097 1.6477 O.3 1 noname -0.3579 9 N1 -1.4155 -0.1252 1.1504 N.3 1 noname 0.0349 10 C6 0.1235 -6.0939 2.3889 C.3 1 noname 0.1435 11 C7 -1.5656 1.1215 0.5531 C.2 1 noname 0.0293 12 C8 -1.6611 -0.2901 2.5046 C.2 1 noname -0.0422 13 C9 1.2491 -6.3621 3.2792 C.2 1 noname -0.0371 14 C10 -0.0483 -7.2155 1.4702 C.2 1 noname -0.0371 15 C11 -1.0919 -5.9217 3.1793 C.2 1 noname -0.0371 16 O3 -1.3313 1.2877 -0.6635 O.2 1 noname -0.2799 17 N2 -1.9816 2.1682 1.3482 N.3 1 noname 0.0787 18 C12 -2.0784 0.7563 3.3573 C.2 1 noname 0.0381 19 C13 1.0502 -6.4173 4.6538 C.2 1 noname -0.0455 20 C14 2.5197 -6.5622 2.7522 C.2 1 noname -0.0455 21 C15 -1.2431 -7.9258 1.4563 C.2 1 noname -0.0455 22 C16 0.9828 -7.5731 0.6094 C.2 1 noname -0.0455 23 C17 -1.4516 -4.6586 3.6347 C.2 1 noname -0.0455 24 C18 -1.8893 -7.0208 3.4765 C.2 1 noname -0.0455 25 C19 -2.2283 2.0018 2.6985 C.2 1 noname 0.0604 26 C20 2.1219 -6.6726 5.5014 C.2 1 noname -0.0574 27 C21 3.5913 -6.8175 3.5999 C.2 1 noname -0.0574 28 C22 -1.4067 -8.9937 0.5816 C.2 1 noname -0.0574 29 C23 0.8193 -8.6410 -0.2652 C.2 1 noname -0.0574 30 C24 -2.6087 -4.4946 4.3872 C.2 1 noname -0.0574 31 C25 -3.0464 -6.8568 4.2290 C.2 1 noname -0.0574 32 O4 -2.5990 2.9916 3.3660 O.2 1 noname -0.2902 33 C26 3.3924 -6.8727 4.9744 C.2 1 noname -0.0608 34 C27 -0.3755 -9.3513 -0.2791 C.2 1 noname -0.0608 35 C28 -3.4061 -5.5937 4.6844 C.2 1 noname -0.0608 36 H1 -2.2916 -3.9257 -1.1851 H 1 noname 0.0690 37 H2 0.4992 -3.4498 -0.5598 H 1 noname 0.0659 38 H3 -2.7075 -1.2645 -1.0941 H 1 noname 0.0338 39 H4 -2.9264 -2.2492 0.5017 H 1 noname 0.0338 40 H5 -1.5675 -4.4610 1.4370 H 1 noname 0.0595 41 H6 -0.7411 -5.4855 0.0836 H 1 noname 0.0595 42 H7 -0.4236 -0.6937 -0.4312 H 1 noname 0.0788 43 H8 -1.5195 -1.2886 2.9182 H 1 noname 0.0759 44 H9 -2.1087 3.0793 0.9312 H 1 noname 0.1417 45 H10 -2.2668 0.6161 4.4217 H 1 noname 0.0685 46 H11 0.0538 -6.2604 5.0670 H 1 noname 0.0626 47 H12 2.6757 -6.5189 1.6743 H 1 noname 0.0626 48 H13 -2.0517 -7.6454 2.1313 H 1 noname 0.0626 49 H14 1.9197 -7.0162 0.6203 H 1 noname 0.0626 50 H15 -0.8263 -3.7967 3.4017 H 1 noname 0.0626 51 H16 -1.6072 -8.0112 3.1194 H 1 noname 0.0626 52 H17 1.9659 -6.7159 6.5793 H 1 noname 0.0622 53 H18 4.5877 -6.9745 3.1866 H 1 noname 0.0622 54 H19 -2.3436 -9.5506 0.5707 H 1 noname 0.0622 55 H20 1.6279 -8.9214 -0.9402 H 1 noname 0.0622 56 H21 -2.8908 -3.5042 4.7443 H 1 noname 0.0622 57 H22 -3.6717 -7.7186 4.4620 H 1 noname 0.0622 58 H23 4.2328 -7.0730 5.6391 H 1 noname 0.0622 59 H24 -0.5038 -10.1886 -0.9650 H 1 noname 0.0622 60 H25 -4.3135 -5.4651 5.2745 H 1 noname 0.0622 @BOND 1 2 1 1 2 2 3 1 3 2 4 1 4 3 5 1 5 3 6 1 6 4 7 1 7 5 7 1 8 6 8 1 9 7 9 1 10 8 10 1 11 9 11 1 12 9 12 1 13 10 13 1 14 10 14 1 15 10 15 1 16 11 16 2 17 11 17 1 18 12 18 2 19 13 19 2 20 13 20 1 21 14 21 2 22 14 22 1 23 15 23 2 24 15 24 1 25 17 25 1 26 18 25 1 27 19 26 1 28 20 27 2 29 21 28 1 30 22 29 2 31 23 30 1 32 24 31 2 33 25 32 2 34 26 33 2 35 27 33 1 36 28 34 2 37 29 34 1 38 30 35 2 39 31 35 1 40 2 36 1 41 3 37 1 42 4 38 1 43 4 39 1 44 6 40 1 45 6 41 1 46 7 42 1 47 12 43 1 48 17 44 1 49 18 45 1 50 19 46 1 51 20 47 1 52 21 48 1 53 22 49 1 54 23 50 1 55 24 51 1 56 26 52 1 57 27 53 1 58 28 54 1 59 29 55 1 60 30 56 1 61 31 57 1 62 33 58 1 63 34 59 1 64 35 60 1 @SUBSTRUCTURE 1 noname 1