@MOLECULE 125518 62 65 1 SMALL USER_CHARGES @ATOM 1 F1 -7.8277 -3.8964 0.5006 F 1 noname -0.1468 2 C1 -7.4418 -2.7897 1.0653 C.2 1 noname 0.0768 3 C2 -8.1777 -2.1765 2.1178 C.2 1 noname 0.0776 4 C3 -6.2489 -2.1062 0.6706 C.2 1 noname 0.0223 5 O1 -9.3177 -2.7554 2.5511 O.3 1 noname -0.2436 6 N1 -7.7520 -1.0059 2.7031 N.2 1 noname -0.2161 7 C4 -5.8055 -0.8871 1.2779 C.2 1 noname 0.0035 8 C5 -6.6048 -0.3544 2.3200 C.2 1 noname 0.0021 9 N2 -4.6593 -0.3467 0.7863 N.3 1 noname 0.0153 10 C6 -3.7366 0.6605 0.8841 C.2 1 noname 0.0633 11 N3 -2.8485 0.3087 -0.1078 N.2 1 noname -0.2455 12 C7 -3.4900 1.8411 1.7137 C.2 1 noname 0.0131 13 C8 -1.6976 0.9712 -0.3872 C.2 1 noname 0.0174 14 C9 -4.2697 2.5056 2.7558 C.2 1 noname 0.0827 15 C10 -2.2507 2.4550 1.4524 C.2 1 noname 0.0031 16 C11 -1.3762 2.0762 0.4029 C.2 1 noname -0.0293 17 N4 -3.8605 3.6963 3.3473 N.2 1 noname -0.2172 18 N5 -5.4265 1.9775 3.2249 N.2 1 noname -0.2386 19 C12 -0.2430 2.9386 0.0329 C.3 1 noname 0.0251 20 C13 -4.5604 4.2941 4.3590 C.2 1 noname 0.0964 21 C14 -6.1599 2.5380 4.2322 C.2 1 noname 0.0686 22 N6 -0.6460 4.0205 -0.9078 N.3 1 noname -0.2964 23 N7 -5.7051 3.6937 4.7874 N.2 1 noname -0.2274 24 N8 -4.1323 5.4370 4.9123 N.3 1 noname -0.0771 25 C15 -7.3951 1.9151 4.6989 C.3 1 noname 0.0696 26 C16 0.5698 4.6522 -1.5258 C.3 1 noname 0.0120 27 C17 -1.7672 4.8939 -0.4029 C.3 1 noname 0.0120 28 C18 0.3907 6.1800 -1.7980 C.3 1 noname 0.0199 29 C19 -1.2500 6.2191 0.2046 C.3 1 noname 0.0199 30 N9 -0.3607 6.9584 -0.7477 N.3 1 noname -0.0604 31 C20 -0.2350 8.2901 -0.6675 C.2 1 noname -0.0331 32 O2 -0.8626 8.9255 0.2071 O.2 1 noname -0.2910 33 N10 0.5634 8.9406 -1.5248 N.3 1 noname -0.0660 34 C21 0.6956 10.3418 -1.4403 C.3 1 noname -0.0048 35 C22 1.2712 8.2238 -2.5113 C.3 1 noname -0.0048 36 H1 -5.6488 -2.5353 -0.1318 H 1 noname 0.0672 37 H2 -9.3289 -2.7610 3.5111 H 1 noname 0.2200 38 H3 -6.3337 0.5681 2.8333 H 1 noname 0.0857 39 H4 -4.3715 -0.9477 0.0274 H 1 noname 0.1358 40 H5 -1.0627 0.6325 -1.2058 H 1 noname 0.0843 41 H6 -1.9491 3.2752 2.1038 H 1 noname 0.0635 42 H7 0.0724 3.4312 0.9527 H 1 noname 0.0481 43 H8 0.4544 2.3012 -0.5107 H 1 noname 0.0481 44 H9 -3.1518 5.5609 5.1208 H 1 noname 0.1273 45 H10 -4.7900 6.1746 5.1208 H 1 noname 0.1273 46 H11 -7.4091 1.9080 5.7888 H 1 noname 0.0312 47 H12 -8.2499 2.4807 4.3282 H 1 noname 0.0312 48 H13 -7.4484 0.8914 4.3282 H 1 noname 0.0312 49 H14 1.3558 4.5566 -0.7767 H 1 noname 0.0444 50 H15 0.6815 4.1710 -2.4975 H 1 noname 0.0444 51 H16 -2.3522 5.1613 -1.2829 H 1 noname 0.0444 52 H17 -2.2311 4.3373 0.4114 H 1 noname 0.0444 53 H18 1.3937 6.6067 -1.7915 H 1 noname 0.0449 54 H19 -0.2282 6.2561 -2.6920 H 1 noname 0.0449 55 H20 -2.1196 6.8593 0.3532 H 1 noname 0.0449 56 H21 -0.6179 5.9529 1.0518 H 1 noname 0.0449 57 H22 0.7239 10.6416 -0.3928 H 1 noname 0.0399 58 H23 1.6186 10.6499 -1.9315 H 1 noname 0.0399 59 H24 -0.1535 10.8171 -1.9315 H 1 noname 0.0399 60 H25 1.9589 7.5275 -2.0313 H 1 noname 0.0399 61 H26 0.5678 7.6695 -3.1327 H 1 noname 0.0399 62 H27 1.8342 8.9203 -3.1327 H 1 noname 0.0399 @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 6 8 2 8 7 9 1 9 7 8 1 10 9 10 1 11 10 11 2 12 10 12 1 13 11 13 1 14 12 14 1 15 12 15 2 16 13 16 2 17 14 17 2 18 14 18 1 19 15 16 1 20 16 19 1 21 17 20 1 22 18 21 2 23 19 22 1 24 20 23 2 25 20 24 1 26 21 25 1 27 21 23 1 28 22 26 1 29 22 27 1 30 26 28 1 31 27 29 1 32 28 30 1 33 29 30 1 34 30 31 1 35 31 32 2 36 31 33 1 37 33 34 1 38 33 35 1 39 4 36 1 40 5 37 1 41 8 38 1 42 9 39 1 43 13 40 1 44 15 41 1 45 19 42 1 46 19 43 1 47 24 44 1 48 24 45 1 49 25 46 1 50 25 47 1 51 25 48 1 52 26 49 1 53 26 50 1 54 27 51 1 55 27 52 1 56 28 53 1 57 28 54 1 58 29 55 1 59 29 56 1 60 34 57 1 61 34 58 1 62 34 59 1 63 35 60 1 64 35 61 1 65 35 62 1 @SUBSTRUCTURE 1 noname 1