@MOLECULE DB03483 88 90 1 SMALL USER_CHARGES @ATOM 1 P1 -0.7358 2.1667 -4.7515 P 1 noname 0.0498 2 O1 0.1912 2.5536 -3.7197 O.2 1 noname -0.2094 3 O2 -0.1058 2.4286 -6.1321 O.3 1 noname -0.1783 4 O3 -1.0627 0.6683 -4.6123 O.3 1 noname -0.1783 5 C1 -2.1227 3.0483 -4.6036 C.3 1 noname 0.3751 6 F1 -2.6836 2.8151 -3.3745 F 1 noname -0.1845 7 F2 -1.8316 4.3823 -4.7275 F 1 noname -0.1845 8 C2 -3.0625 2.6560 -5.6497 C.2 1 noname -0.0184 9 C3 -3.0519 3.3120 -6.8752 C.2 1 noname -0.0316 10 C4 -3.9680 1.6267 -5.4203 C.2 1 noname -0.0316 11 C5 -3.9467 2.9385 -7.8712 C.2 1 noname -0.0485 12 C6 -4.8628 1.2533 -6.4163 C.2 1 noname -0.0485 13 C7 -4.8521 1.9092 -7.6417 C.2 1 noname -0.0517 14 C8 -5.7920 1.5170 -8.6879 C.3 1 noname 0.0026 15 C9 -5.1626 0.4255 -9.5559 C.3 1 noname 0.1202 16 N1 -6.0477 0.0561 -10.5411 N.2 1 noname -0.2139 17 C10 -4.8525 -0.7098 -8.7436 C.2 1 noname 0.0340 18 C11 -5.7277 0.1889 -11.7681 C.2 1 noname 0.0339 19 O4 -5.8134 -1.3363 -8.0904 O.3 1 noname -0.2582 20 N2 -3.6478 -1.1169 -8.6502 N.2 1 noname -0.2138 21 O5 -4.5466 0.6810 -12.0926 O.3 1 noname -0.2582 22 C12 -6.6482 -0.1953 -12.7928 C.3 1 noname 0.1170 23 C13 -3.3496 -2.2086 -7.8691 C.3 1 noname 0.1200 24 N3 -6.0857 0.0386 -14.0254 N.2 1 noname -0.2188 25 C14 -6.9731 -1.6840 -12.6545 C.3 1 noname -0.0134 26 C15 -2.3647 -1.7975 -6.7728 C.2 1 noname 0.0243 27 C16 -2.7614 -3.2287 -8.6804 C.3 1 noname 0.0026 28 C17 -6.6496 0.8391 -14.8420 C.2 1 noname 0.0039 29 C18 -7.9580 -2.0951 -13.7508 C.3 1 noname 0.0359 30 O6 -2.8146 -1.3653 -5.6096 O.3 1 noname -0.2600 31 N4 -1.1094 -1.8725 -6.9828 N.2 1 noname -0.2345 32 C19 -3.7012 -3.6210 -9.7265 C.2 1 noname -0.0517 33 O7 -7.7734 1.4434 -14.5040 O.3 1 noname -0.2606 34 C20 -6.0933 1.0704 -16.0612 C.2 1 noname -0.0178 35 C21 -9.1852 -1.3150 -13.6200 C.2 1 noname 0.1348 36 C22 -3.3523 -3.4762 -11.0642 C.2 1 noname -0.0485 37 C23 -4.9449 -4.1392 -9.3848 C.2 1 noname -0.0485 38 C24 -6.7080 1.9432 -16.9514 C.2 1 noname -0.0248 39 C25 -4.9099 0.4341 -16.4172 C.2 1 noname -0.0248 40 O8 -10.1279 -1.4940 -14.4210 O.2 1 noname -0.2559 41 O9 -9.3017 -0.4004 -12.6339 O.3 1 noname -0.2189 42 C26 -4.2471 -3.8496 -12.0602 C.2 1 noname -0.0316 43 C27 -5.8397 -4.5126 -10.3808 C.2 1 noname -0.0316 44 C28 -6.1394 2.1796 -18.1976 C.2 1 noname -0.0493 45 C29 -4.3412 0.6705 -17.6633 C.2 1 noname -0.0493 46 C30 -5.4908 -4.3678 -11.7185 C.2 1 noname -0.0184 47 C31 -4.9560 1.5433 -18.5535 C.2 1 noname -0.0487 48 C32 -6.4307 -4.7600 -12.7647 C.3 1 noname 0.3751 49 P2 -6.1863 -6.3437 -13.1581 P 1 noname 0.0498 50 F3 -7.7140 -4.5945 -12.3115 F 1 noname -0.1845 51 F4 -6.2330 -3.9780 -13.8732 F 1 noname -0.1845 52 O10 -7.1132 -6.7306 -14.1899 O.2 1 noname -0.2094 53 O11 -4.7447 -6.5296 -13.6670 O.3 1 noname -0.1783 54 O12 -6.4083 -7.2222 -11.9128 O.3 1 noname -0.1783 55 H1 0.0890 1.5911 -6.5590 H 1 noname 0.2261 56 H2 -1.1132 0.4368 -3.6820 H 1 noname 0.2261 57 H3 -2.3418 4.1192 -7.0551 H 1 noname 0.0628 58 H4 -3.9764 1.1123 -4.4593 H 1 noname 0.0628 59 H5 -3.9383 3.4529 -8.8322 H 1 noname 0.0625 60 H6 -5.5728 0.4461 -6.2363 H 1 noname 0.0625 61 H7 -6.6464 1.0768 -8.1736 H 1 noname 0.0342 62 H8 -5.9280 2.3984 -9.3145 H 1 noname 0.0342 63 H9 -4.2576 0.7359 -10.0781 H 1 noname 0.0645 64 H10 -5.6712 -1.2436 -7.1456 H 1 noname 0.2196 65 H11 -4.0549 0.8859 -11.2939 H 1 noname 0.2196 66 H12 -7.5185 0.4589 -12.7403 H 1 noname 0.0642 67 H13 -4.3076 -2.5711 -7.4965 H 1 noname 0.0645 68 H14 -6.0471 -2.2270 -12.8437 H 1 noname 0.0298 69 H15 -7.4918 -1.8059 -11.7037 H 1 noname 0.0298 70 H16 -1.9031 -2.7730 -9.1741 H 1 noname 0.0342 71 H17 -2.6215 -4.0946 -8.0332 H 1 noname 0.0342 72 H18 -7.5223 -1.8101 -14.7085 H 1 noname 0.0373 73 H19 -8.2407 -3.1317 -13.5676 H 1 noname 0.0373 74 H20 -3.0306 -2.1157 -5.0512 H 1 noname 0.2196 75 H21 -0.6213 -1.9017 -6.0990 H 1 noname 0.1895 76 H22 -7.8418 1.4802 -13.5471 H 1 noname 0.2199 77 H23 -2.3770 -3.0698 -11.3322 H 1 noname 0.0625 78 H24 -5.2185 -4.2527 -8.3359 H 1 noname 0.0625 79 H25 -7.6360 2.4422 -16.6723 H 1 noname 0.0630 80 H26 -4.4278 -0.2503 -15.7191 H 1 noname 0.0630 81 H27 -9.4013 -0.8493 -11.7912 H 1 noname 0.2213 82 H28 -3.9735 -3.7361 -13.1092 H 1 noname 0.0628 83 H29 -6.8150 -4.9190 -10.1129 H 1 noname 0.0628 84 H30 -6.6215 2.8640 -18.8956 H 1 noname 0.0622 85 H31 -3.4132 0.1715 -17.9424 H 1 noname 0.0622 86 H32 -4.5101 1.7286 -19.5307 H 1 noname 0.0622 87 H33 -4.1485 -6.6065 -12.9185 H 1 noname 0.2261 88 H34 -6.3638 -8.1481 -12.1623 H 1 noname 0.2261 @BOND 1 1 2 2 2 1 3 1 3 1 4 1 4 1 5 1 5 5 6 1 6 5 7 1 7 5 8 1 8 8 9 2 9 8 10 1 10 9 11 1 11 10 12 2 12 11 13 2 13 12 13 1 14 13 14 1 15 14 15 1 16 15 16 1 17 15 17 1 18 16 18 2 19 17 19 1 20 17 20 2 21 18 21 1 22 18 22 1 23 23 20 1 24 22 24 1 25 22 25 1 26 23 26 1 27 23 27 1 28 24 28 2 29 25 29 1 30 26 30 1 31 26 31 2 32 27 32 1 33 28 33 1 34 28 34 1 35 29 35 1 36 32 36 2 37 32 37 1 38 34 38 2 39 34 39 1 40 35 40 2 41 35 41 1 42 36 42 1 43 37 43 2 44 38 44 1 45 39 45 2 46 42 46 2 47 43 46 1 48 44 47 2 49 45 47 1 50 46 48 1 51 48 49 1 52 48 50 1 53 48 51 1 54 49 52 2 55 49 53 1 56 49 54 1 57 3 55 1 58 4 56 1 59 9 57 1 60 10 58 1 61 11 59 1 62 12 60 1 63 14 61 1 64 14 62 1 65 15 63 1 66 19 64 1 67 21 65 1 68 22 66 1 69 23 67 1 70 25 68 1 71 25 69 1 72 27 70 1 73 27 71 1 74 29 72 1 75 29 73 1 76 30 74 1 77 31 75 1 78 33 76 1 79 36 77 1 80 37 78 1 81 38 79 1 82 39 80 1 83 41 81 1 84 42 82 1 85 43 83 1 86 44 84 1 87 45 85 1 88 47 86 1 89 53 87 1 90 54 88 1 @SUBSTRUCTURE 1 noname 1