@MOLECULE DB03702 73 74 1 SMALL USER_CHARGES @ATOM 1 F1 -6.3557 -2.0887 6.9183 F 1 noname -0.1632 2 C1 -6.1195 -1.5225 5.6922 C.3 1 noname 0.4519 3 F2 -4.8100 -1.7248 5.3402 F 1 noname -0.1632 4 F3 -6.3735 -0.1766 5.7538 F 1 noname -0.1632 5 C2 -6.9918 -2.1374 4.6960 C.2 1 noname 0.2249 6 O1 -7.8067 -1.4347 4.0599 O.2 1 noname -0.2514 7 C3 -6.9086 -3.6419 4.4306 C.3 1 noname 0.1225 8 N1 -8.1410 -4.1065 4.0358 N.2 1 noname -0.2168 9 C4 -5.9317 -3.8967 3.3759 C.3 1 noname -0.0170 10 C5 -9.1461 -3.9856 4.8110 C.2 1 noname 0.0301 11 C6 -5.8485 -5.4012 3.1105 C.3 1 noname -0.0603 12 C7 -6.3627 -3.1762 2.0967 C.3 1 noname -0.0603 13 O2 -9.0035 -3.4144 5.9924 O.3 1 noname -0.2602 14 C8 -10.4279 -4.4689 4.4004 C.3 1 noname 0.0811 15 N2 -10.8921 -5.4921 5.3478 N.3 1 noname -0.0565 16 C9 -11.4419 -3.3126 4.4195 C.3 1 noname -0.0281 17 C10 -11.7575 -6.4595 4.6143 C.2 1 noname 0.0541 18 C11 -11.5130 -4.6454 6.3938 C.3 1 noname 0.0067 19 C12 -12.0022 -3.3086 5.8340 C.3 1 noname -0.0379 20 O3 -11.8069 -6.4404 3.3655 O.2 1 noname -0.2884 21 C13 -12.5866 -7.4785 5.4061 C.3 1 noname 0.0906 22 N3 -13.7075 -6.7032 5.9412 N.3 1 noname -0.0693 23 C14 -13.0062 -8.5855 4.4126 C.3 1 noname -0.0227 24 C15 -14.5441 -7.4248 6.9052 C.2 1 noname 0.0168 25 C16 -11.7564 -9.2437 3.8247 C.3 1 noname -0.0608 26 C17 -13.8371 -7.9703 3.2847 C.3 1 noname -0.0608 27 O4 -14.2923 -8.5835 7.3008 O.2 1 noname -0.2954 28 C18 -15.6978 -6.6582 7.3565 C.2 1 noname 0.0035 29 C19 -16.2378 -7.1132 8.6033 C.2 1 noname -0.0035 30 C20 -16.2636 -5.5389 6.6472 C.2 1 noname -0.0035 31 C21 -17.3553 -6.4333 9.1648 C.2 1 noname -0.0035 32 C22 -17.3856 -4.8570 7.2143 C.2 1 noname -0.0035 33 C23 -17.9101 -5.3145 8.4615 C.2 1 noname 0.0036 34 C24 -18.9990 -4.6501 9.0137 C.2 1 noname 0.0163 35 O5 -19.4764 -5.0312 10.1043 O.2 1 noname -0.2955 36 N4 -19.5371 -3.6010 8.3770 N.3 1 noname -0.0708 37 C25 -20.6416 -2.9270 8.9371 C.3 1 noname 0.0891 38 C26 -21.0385 -1.8298 8.0595 C.2 1 noname 0.1423 39 O6 -22.0038 -1.0989 8.3700 O.2 1 noname -0.2506 40 O7 -20.3629 -1.6047 6.9126 O.3 1 noname -0.2148 41 H1 -6.6557 -4.2278 5.3143 H 1 noname 0.0640 42 H2 -4.9744 -3.5142 3.7299 H 1 noname 0.0323 43 H3 -5.8189 -5.9365 4.0595 H 1 noname 0.0234 44 H4 -6.7223 -5.7186 2.5414 H 1 noname 0.0234 45 H5 -4.9450 -5.6203 2.5414 H 1 noname 0.0234 46 H6 -6.6195 -3.9117 1.3344 H 1 noname 0.0234 47 H7 -7.2311 -2.5518 2.3064 H 1 noname 0.0234 48 H8 -5.5443 -2.5518 1.7382 H 1 noname 0.0234 49 H9 -8.9221 -4.0919 6.6676 H 1 noname 0.2196 50 H10 -10.2870 -4.9105 3.4139 H 1 noname 0.0561 51 H11 -10.8919 -2.3818 4.2805 H 1 noname 0.0288 52 H12 -12.2570 -3.5701 3.7432 H 1 noname 0.0288 53 H13 -12.3966 -5.1899 6.7268 H 1 noname 0.0436 54 H14 -10.7146 -4.4180 7.1002 H 1 noname 0.0436 55 H15 -11.5152 -2.5069 6.3891 H 1 noname 0.0280 56 H16 -13.0896 -3.3433 5.7679 H 1 noname 0.0280 57 H17 -12.1003 -7.9485 6.2610 H 1 noname 0.0569 58 H18 -13.8888 -5.7481 5.6675 H 1 noname 0.1322 59 H19 -13.6016 -9.3409 4.9254 H 1 noname 0.0318 60 H20 -11.1102 -9.5840 4.6339 H 1 noname 0.0234 61 H21 -12.0489 -10.0955 3.2108 H 1 noname 0.0234 62 H22 -11.2196 -8.5205 3.2108 H 1 noname 0.0234 63 H23 -14.2795 -8.7652 2.6842 H 1 noname 0.0234 64 H24 -14.6284 -7.3538 3.7111 H 1 noname 0.0234 65 H25 -13.1953 -7.3538 2.6554 H 1 noname 0.0234 66 H26 -15.8025 -7.9687 9.1198 H 1 noname 0.0630 67 H27 -15.8482 -5.2121 5.6939 H 1 noname 0.0630 68 H28 -17.7777 -6.7627 10.1141 H 1 noname 0.0630 69 H29 -17.8331 -4.0036 6.7048 H 1 noname 0.0630 70 H30 -19.1213 -3.3257 7.4987 H 1 noname 0.1319 71 H31 -21.4609 -3.6457 8.9506 H 1 noname 0.0541 72 H32 -20.2877 -2.4865 9.8692 H 1 noname 0.0541 73 H33 -20.1261 -2.4437 6.5107 H 1 noname 0.2213 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 2 6 5 7 1 7 7 8 1 8 7 9 1 9 8 10 2 10 9 11 1 11 9 12 1 12 10 13 1 13 14 10 1 14 14 15 1 15 14 16 1 16 15 17 1 17 15 18 1 18 16 19 1 19 17 20 2 20 17 21 1 21 18 19 1 22 21 22 1 23 21 23 1 24 22 24 1 25 23 25 1 26 23 26 1 27 24 27 2 28 24 28 1 29 28 29 2 30 28 30 1 31 29 31 1 32 30 32 2 33 31 33 2 34 32 33 1 35 33 34 1 36 34 35 2 37 34 36 1 38 36 37 1 39 37 38 1 40 38 39 2 41 38 40 1 42 7 41 1 43 9 42 1 44 11 43 1 45 11 44 1 46 11 45 1 47 12 46 1 48 12 47 1 49 12 48 1 50 13 49 1 51 14 50 1 52 16 51 1 53 16 52 1 54 18 53 1 55 18 54 1 56 19 55 1 57 19 56 1 58 21 57 1 59 22 58 1 60 23 59 1 61 25 60 1 62 25 61 1 63 25 62 1 64 26 63 1 65 26 64 1 66 26 65 1 67 29 66 1 68 30 67 1 69 31 68 1 70 32 69 1 71 36 70 1 72 37 71 1 73 37 72 1 74 40 73 1 @SUBSTRUCTURE 1 noname 1