@MOLECULE 125439 68 71 1 SMALL USER_CHARGES @ATOM 1 F1 -0.7783 -6.4728 -0.8912 F 1 noname -0.1465 2 C1 -1.2499 -5.4336 -0.2664 C.2 1 noname 0.0783 3 C2 -2.1923 -5.5480 0.7932 C.2 1 noname 0.0787 4 C3 -0.8565 -4.1023 -0.5980 C.2 1 noname 0.0228 5 O1 -2.6163 -6.7737 1.1678 O.3 1 noname -0.2346 6 N1 -2.6823 -4.4399 1.4457 N.2 1 noname -0.2146 7 C4 -1.3670 -2.9501 0.0787 C.2 1 noname 0.0044 8 C5 -3.7678 -7.1266 0.4155 C.3 1 noname 0.0441 9 C6 -2.3028 -3.1597 1.1250 C.2 1 noname 0.0025 10 N2 -0.8946 -1.7619 -0.3598 N.3 1 noname 0.0154 11 C7 -0.9397 -0.3977 -0.1941 C.2 1 noname 0.0634 12 N3 -0.0009 0.0417 -1.0883 N.2 1 noname -0.2453 13 C8 -1.6486 0.5508 0.6537 C.2 1 noname 0.0134 14 C9 0.3434 1.3580 -1.2460 C.2 1 noname 0.0182 15 C10 -2.5998 0.4755 1.7486 C.2 1 noname 0.0827 16 C11 -1.3131 1.8837 0.3953 C.2 1 noname 0.0039 17 C12 -0.3271 2.3423 -0.4864 C.2 1 noname -0.0281 18 N4 -3.0875 1.5939 2.4230 N.2 1 noname -0.2172 19 N5 -3.0538 -0.7193 2.1829 N.2 1 noname -0.2385 20 C13 -0.0922 3.7971 -0.6256 C.3 1 noname 0.0337 21 C14 -3.9825 1.5121 3.4431 C.2 1 noname 0.0964 22 C15 -3.9504 -0.8581 3.1996 C.2 1 noname 0.0686 23 N6 -0.9705 4.4495 -1.6733 N.3 1 noname -0.2939 24 C16 0.0604 4.5451 0.7588 C.3 1 noname -0.0453 25 N7 -4.4067 0.2679 3.8131 N.2 1 noname -0.2274 26 N8 -4.4320 2.6119 4.0627 N.3 1 noname -0.0771 27 C17 -4.4093 -2.1790 3.6194 C.3 1 noname 0.0696 28 C18 -1.2942 3.6777 -2.9444 C.3 1 noname 0.0122 29 C19 -0.6290 5.8896 -1.9045 C.3 1 noname 0.0122 30 C20 -1.2954 4.4439 -4.3108 C.3 1 noname 0.0199 31 C21 0.2878 6.1189 -3.1385 C.3 1 noname 0.0199 32 N9 -0.2976 5.5595 -4.3935 N.3 1 noname -0.0604 33 C22 0.0668 6.0516 -5.5854 C.2 1 noname -0.0331 34 O2 0.8992 6.9819 -5.6496 O.2 1 noname -0.2910 35 N10 -0.4612 5.5463 -6.7086 N.3 1 noname -0.0660 36 C23 -0.0778 6.0641 -7.9628 C.3 1 noname -0.0048 37 C24 -1.4002 4.4970 -6.6363 C.3 1 noname -0.0048 38 H1 -0.1352 -3.9594 -1.4026 H 1 noname 0.0672 39 H2 -4.5830 -7.3764 1.0946 H 1 noname 0.0535 40 H3 -4.0629 -6.2862 -0.2128 H 1 noname 0.0535 41 H4 -3.5414 -7.9881 -0.2128 H 1 noname 0.0535 42 H5 -2.7335 -2.3309 1.6869 H 1 noname 0.0857 43 H6 -0.2530 -1.9800 -1.1088 H 1 noname 0.1358 44 H7 1.1292 1.6151 -1.9564 H 1 noname 0.0843 45 H8 -1.8779 2.6428 0.9364 H 1 noname 0.0635 46 H9 0.8832 3.8522 -1.1090 H 1 noname 0.0515 47 H10 0.1487 3.8116 1.5603 H 1 noname 0.0250 48 H11 0.9534 5.1697 0.7378 H 1 noname 0.0250 49 H12 -0.8158 5.1697 0.9328 H 1 noname 0.0250 50 H13 -3.7916 3.3573 4.2962 H 1 noname 0.1273 51 H14 -5.4110 2.6955 4.2962 H 1 noname 0.1273 52 H15 -4.4265 -2.2286 4.7082 H 1 noname 0.0312 53 H16 -5.4126 -2.3553 3.2318 H 1 noname 0.0312 54 H17 -3.7312 -2.9394 3.2318 H 1 noname 0.0312 55 H18 -0.4899 2.9463 -3.0238 H 1 noname 0.0444 56 H19 -2.3217 3.3443 -2.7990 H 1 noname 0.0444 57 H20 -1.5786 6.3763 -2.1272 H 1 noname 0.0444 58 H21 -0.0542 6.1912 -1.0289 H 1 noname 0.0444 59 H22 -0.9782 3.7281 -5.0691 H 1 noname 0.0449 60 H23 -2.2670 4.9309 -4.3935 H 1 noname 0.0449 61 H24 0.3402 7.1959 -3.2982 H 1 noname 0.0449 62 H25 1.2004 5.5486 -2.9652 H 1 noname 0.0449 63 H26 0.1313 5.2416 -8.6469 H 1 noname 0.0399 64 H27 -0.8853 6.6755 -8.3658 H 1 noname 0.0399 65 H28 0.8169 6.6755 -7.8454 H 1 noname 0.0399 66 H29 -1.6070 4.2658 -5.5913 H 1 noname 0.0399 67 H30 -2.3229 4.8003 -7.1308 H 1 noname 0.0399 68 H31 -0.9965 3.6135 -7.1308 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 5 8 1 8 6 9 2 9 7 10 1 10 7 9 1 11 10 11 1 12 11 12 2 13 11 13 1 14 12 14 1 15 13 15 1 16 13 16 2 17 14 17 2 18 15 18 2 19 15 19 1 20 16 17 1 21 20 17 1 22 18 21 1 23 19 22 2 24 20 23 1 25 20 24 1 26 21 25 2 27 21 26 1 28 22 27 1 29 22 25 1 30 23 28 1 31 23 29 1 32 28 30 1 33 29 31 1 34 30 32 1 35 31 32 1 36 32 33 1 37 33 34 2 38 33 35 1 39 35 36 1 40 35 37 1 41 4 38 1 42 8 39 1 43 8 40 1 44 8 41 1 45 9 42 1 46 10 43 1 47 14 44 1 48 16 45 1 49 20 46 1 50 24 47 1 51 24 48 1 52 24 49 1 53 26 50 1 54 26 51 1 55 27 52 1 56 27 53 1 57 27 54 1 58 28 55 1 59 28 56 1 60 29 57 1 61 29 58 1 62 30 59 1 63 30 60 1 64 31 61 1 65 31 62 1 66 36 63 1 67 36 64 1 68 36 65 1 69 37 66 1 70 37 67 1 71 37 68 1 @SUBSTRUCTURE 1 noname 1