@MOLECULE 58160538 63 67 1 SMALL USER_CHARGES @ATOM 1 F1 12.7772 3.6634 1.8174 F 1 noname -0.1662 2 O1 3.4977 0.1668 -2.4640 O.2 1 noname -0.2525 3 N1 4.6894 -2.0160 0.4334 N.3 1 noname -0.3031 4 N2 2.1666 -1.7203 -2.6133 N.3 1 noname -0.1109 5 N3 1.5264 0.1379 -3.6433 N.3 1 noname -0.1181 6 C1 2.8619 -2.6432 -1.7865 C.3 1 noname 0.0259 7 C2 2.2947 -2.4290 -0.3543 C.3 1 noname -0.0237 8 C3 4.4038 -2.7684 -2.0250 C.3 1 noname -0.0237 9 C4 5.1629 -2.9004 -0.6746 C.3 1 noname -0.0003 10 C5 3.2778 -1.5381 0.4336 C.3 1 noname -0.0003 11 C6 5.5910 -0.8725 0.5633 C.3 1 noname -0.0018 12 C7 7.0037 -1.3698 0.8761 C.3 1 noname -0.0395 13 C8 0.9934 -2.0028 -3.2021 C.2 1 noname 0.0050 14 C9 7.9473 -0.1731 1.0121 C.3 1 noname -0.0410 15 C10 2.4752 -0.4216 -2.8771 C.2 1 noname 0.1259 16 C11 9.3600 -0.6705 1.3248 C.3 1 noname 0.0403 17 C12 0.6070 -0.8127 -3.8659 C.2 1 noname 0.0054 18 C13 0.1840 -3.1865 -3.2431 C.2 1 noname -0.0260 19 C14 10.2604 0.4715 1.4546 C.2 1 noname -0.0554 20 C15 9.8225 -1.5344 0.2425 C.2 1 noname -0.0533 21 C16 -0.5778 -0.7360 -4.6447 C.2 1 noname -0.0276 22 C17 -1.0057 -3.1206 -4.0270 C.2 1 noname -0.0536 23 C18 -1.3697 -1.9215 -4.7172 C.2 1 noname -0.0529 24 C19 10.9385 0.6897 2.6482 C.2 1 noname -0.0417 25 C20 10.4395 1.3404 0.3846 C.2 1 noname -0.0417 26 C21 10.1645 -2.8557 0.5058 C.2 1 noname -0.0588 27 C22 9.9209 -1.0356 -1.0511 C.2 1 noname -0.0588 28 C23 11.7957 1.7769 2.7718 C.2 1 noname -0.0083 29 C24 11.2967 2.4276 0.5081 C.2 1 noname -0.0083 30 C25 10.6049 -3.6782 -0.5246 C.2 1 noname -0.0616 31 C26 10.3612 -1.8581 -2.0815 C.2 1 noname -0.0616 32 C27 11.9748 2.6459 1.7017 C.2 1 noname 0.0191 33 C28 10.7032 -3.1794 -1.8182 C.2 1 noname -0.0652 34 H1 2.4104 -3.6107 -2.0056 H 1 noname 0.0477 35 H2 4.6060 -3.6435 -2.6426 H 1 noname 0.0296 36 H3 4.7355 -1.8422 -2.4942 H 1 noname 0.0296 37 H4 1.3260 -1.9333 -0.4176 H 1 noname 0.0296 38 H5 2.2480 -3.3996 0.1394 H 1 noname 0.0296 39 H6 5.1404 -3.9392 -0.3452 H 1 noname 0.0431 40 H7 6.2124 -2.6819 -0.8720 H 1 noname 0.0431 41 H8 2.9298 -1.4336 1.4612 H 1 noname 0.0431 42 H9 3.2872 -0.5576 -0.0424 H 1 noname 0.0431 43 H10 5.2457 -0.2275 1.3713 H 1 noname 0.0430 44 H11 5.6021 -0.3105 -0.3706 H 1 noname 0.0430 45 H12 6.9926 -1.9317 1.8100 H 1 noname 0.0280 46 H13 7.3490 -2.0148 0.0681 H 1 noname 0.0280 47 H14 7.6020 0.4718 1.8201 H 1 noname 0.0276 48 H15 7.9584 0.3888 0.0781 H 1 noname 0.0276 49 H16 9.3489 -1.2324 2.2588 H 1 noname 0.0402 50 H17 1.5090 1.0505 -3.9716 H 1 noname 0.1385 51 H18 0.4461 -4.0326 -2.7372 H 1 noname 0.0640 52 H19 -0.8487 0.1209 -5.1270 H 1 noname 0.0639 53 H20 -1.6068 -3.9417 -4.0967 H 1 noname 0.0623 54 H21 -2.2214 -1.9134 -5.2784 H 1 noname 0.0623 55 H22 10.8070 0.0521 3.4334 H 1 noname 0.0626 56 H23 9.9419 1.1802 -0.4913 H 1 noname 0.0626 57 H24 10.0924 -3.2217 1.4552 H 1 noname 0.0625 58 H25 9.6699 -0.0660 -1.2443 H 1 noname 0.0625 59 H26 12.2933 1.9371 3.6476 H 1 noname 0.0653 60 H27 11.4282 3.0652 -0.2771 H 1 noname 0.0653 61 H28 10.8559 -4.6478 -0.3313 H 1 noname 0.0622 62 H29 10.4334 -1.4920 -3.0309 H 1 noname 0.0622 63 H30 11.0264 -3.7829 -2.5744 H 1 noname 0.0622 @BOND 1 1 32 1 2 2 15 2 3 3 9 1 4 3 10 1 5 3 11 1 6 4 6 1 7 4 13 1 8 4 15 1 9 5 15 1 10 5 17 1 11 5 50 1 12 6 7 1 13 6 8 1 14 6 34 1 15 7 10 1 16 7 37 1 17 7 38 1 18 8 9 1 19 8 35 1 20 8 36 1 21 9 39 1 22 9 40 1 23 10 41 1 24 10 42 1 25 11 12 1 26 11 43 1 27 11 44 1 28 12 14 1 29 12 45 1 30 12 46 1 31 13 17 1 32 13 18 2 33 14 16 1 34 14 47 1 35 14 48 1 36 16 19 1 37 16 20 1 38 16 49 1 39 17 21 2 40 18 22 1 41 18 51 1 42 19 24 2 43 19 25 1 44 20 26 2 45 20 27 1 46 21 23 1 47 21 52 1 48 22 23 2 49 22 53 1 50 23 54 1 51 24 28 1 52 24 55 1 53 25 29 2 54 25 56 1 55 26 30 1 56 26 57 1 57 27 31 2 58 27 58 1 59 28 32 2 60 28 59 1 61 29 32 1 62 29 60 1 63 30 33 2 64 30 61 1 65 31 33 1 66 31 62 1 67 33 63 1 @SUBSTRUCTURE 1 noname 1