@MOLECULE 178286 73 78 1 SMALL USER_CHARGES @ATOM 1 F1 0.6752 3.1491 -5.1695 F 1 noname -0.1591 2 C1 1.2975 2.3467 -5.9829 C.2 1 noname 0.0565 3 C2 2.5822 1.8105 -5.6314 C.2 1 noname 0.0212 4 C3 0.7094 1.9898 -7.2356 C.2 1 noname 0.0246 5 C4 3.2283 2.2408 -4.4131 C.2 1 noname 0.0761 6 C5 3.2382 0.8371 -6.4689 C.2 1 noname -0.0089 7 C6 1.4247 1.1301 -8.1273 C.2 1 noname 0.0050 8 N1 2.4255 2.3784 -3.3215 N.2 1 noname -0.2294 9 C7 4.6318 2.5100 -4.2170 C.2 1 noname 0.0482 10 C8 2.6625 0.4956 -7.7143 C.2 1 noname -0.0300 11 N2 0.9272 0.9476 -9.4121 N.3 1 noname -0.1221 12 C9 2.8191 2.7244 -2.0717 C.2 1 noname 0.1052 13 C10 5.6112 2.4628 -5.3371 C.2 1 noname 0.0393 14 C11 5.0915 2.8307 -2.9133 C.2 1 noname 0.1090 15 C12 1.8231 0.9756 -10.5262 C.2 1 noname 0.1204 16 N3 4.1667 2.9167 -1.9121 N.2 1 noname -0.2012 17 N4 1.8758 2.8540 -1.0823 N.3 1 noname -0.0526 18 O1 5.7413 1.4679 -6.0825 O.2 1 noname -0.2883 19 N5 6.4121 3.6853 -5.4923 N.3 1 noname -0.0608 20 O2 6.4186 2.9705 -2.5352 O.3 1 noname -0.2253 21 O3 2.9512 1.4871 -10.3578 O.2 1 noname -0.2544 22 N6 1.5110 0.4573 -11.8164 N.3 1 noname -0.1231 23 C13 0.5691 3.4509 -1.4285 C.3 1 noname 0.0325 24 C14 2.2035 2.4187 0.2720 C.3 1 noname 0.0325 25 C15 7.6043 3.7530 -4.6214 C.3 1 noname 0.0353 26 C16 6.0709 4.7103 -6.3984 C.3 1 noname 0.0034 27 C17 7.2283 3.9991 -3.1410 C.3 1 noname 0.0843 28 C18 2.4286 0.3700 -12.8415 C.2 1 noname -0.0014 29 C19 -0.2485 3.9130 -0.1672 C.3 1 noname 0.0713 30 C20 1.1956 2.9617 1.3568 C.3 1 noname 0.0713 31 C21 5.1625 5.7254 -5.7016 C.3 1 noname -0.0519 32 C22 8.5024 4.1965 -2.3173 C.3 1 noname -0.0342 33 C23 6.3667 5.2634 -3.1357 C.3 1 noname -0.0342 34 C24 1.8488 0.0049 -14.0994 C.2 1 noname -0.0005 35 C25 3.8511 0.6197 -12.7134 C.2 1 noname -0.0005 36 O4 0.6750 4.2356 0.9020 O.3 1 noname -0.3721 37 C26 -1.0627 2.7637 0.4543 C.3 1 noname -0.0229 38 C27 -0.0916 2.1191 1.4667 C.3 1 noname -0.0229 39 C28 2.7082 -0.0913 -15.2342 C.2 1 noname 0.0047 40 C29 4.6819 0.5128 -13.8675 C.2 1 noname 0.0047 41 N7 4.0502 0.1695 -15.0389 N.2 1 noname -0.2542 42 H1 -0.2752 2.3696 -7.5083 H 1 noname 0.0670 43 H2 4.1685 0.3599 -6.1609 H 1 noname 0.0631 44 H3 3.1624 -0.2414 -8.3428 H 1 noname 0.0639 45 H4 -0.0642 0.7978 -9.5335 H 1 noname 0.1385 46 H5 0.5770 0.1299 -12.0177 H 1 noname 0.1385 47 H6 0.8137 4.3467 -1.9993 H 1 noname 0.0462 48 H7 0.0080 2.6424 -1.8971 H 1 noname 0.0462 49 H8 2.0992 1.3341 0.2434 H 1 noname 0.0462 50 H9 3.1757 2.8675 0.4758 H 1 noname 0.0462 51 H10 8.0586 2.7637 -4.6758 H 1 noname 0.0465 52 H11 8.1603 4.6274 -4.9598 H 1 noname 0.0465 53 H12 7.0110 5.2059 -6.6408 H 1 noname 0.0433 54 H13 5.4944 4.2212 -7.1835 H 1 noname 0.0433 55 H14 -0.8627 4.7673 -0.4518 H 1 noname 0.0616 56 H15 1.7267 3.0359 2.3058 H 1 noname 0.0616 57 H16 5.2589 5.6177 -4.6213 H 1 noname 0.0243 58 H17 5.4540 6.7343 -5.9936 H 1 noname 0.0243 59 H18 4.1276 5.5473 -5.9936 H 1 noname 0.0243 60 H19 8.2582 4.1586 -1.2557 H 1 noname 0.0260 61 H20 9.2146 3.4062 -2.5547 H 1 noname 0.0260 62 H21 8.9421 5.1652 -2.5547 H 1 noname 0.0260 63 H22 6.1641 5.5607 -2.1068 H 1 noname 0.0260 64 H23 6.8965 6.0663 -3.6483 H 1 noname 0.0260 65 H24 5.4257 5.0639 -3.6483 H 1 noname 0.0260 66 H25 0.7811 -0.1946 -14.1908 H 1 noname 0.0655 67 H26 4.2940 0.8866 -11.7539 H 1 noname 0.0655 68 H27 -1.8883 3.2034 1.0140 H 1 noname 0.0294 69 H28 -1.2635 2.0339 -0.3300 H 1 noname 0.0294 70 H29 0.1375 1.1130 1.1157 H 1 noname 0.0294 71 H30 -0.5030 2.2675 2.4651 H 1 noname 0.0294 72 H31 2.3478 -0.3580 -16.2277 H 1 noname 0.0839 73 H32 5.7579 0.6868 -13.8547 H 1 noname 0.0839 @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 2 8 5 9 1 9 6 10 2 10 7 11 1 11 7 10 1 12 8 12 1 13 9 13 1 14 9 14 2 15 11 15 1 16 12 16 2 17 12 17 1 18 13 18 2 19 13 19 1 20 14 20 1 21 14 16 1 22 15 21 2 23 15 22 1 24 17 23 1 25 17 24 1 26 19 25 1 27 19 26 1 28 20 27 1 29 22 28 1 30 23 29 1 31 24 30 1 32 25 27 1 33 26 31 1 34 27 32 1 35 27 33 1 36 28 34 2 37 28 35 1 38 29 36 1 39 29 37 1 40 30 38 1 41 30 36 1 42 34 39 1 43 35 40 2 44 37 38 1 45 39 41 2 46 40 41 1 47 4 42 1 48 6 43 1 49 10 44 1 50 11 45 1 51 22 46 1 52 23 47 1 53 23 48 1 54 24 49 1 55 24 50 1 56 25 51 1 57 25 52 1 58 26 53 1 59 26 54 1 60 29 55 1 61 30 56 1 62 31 57 1 63 31 58 1 64 31 59 1 65 32 60 1 66 32 61 1 67 32 62 1 68 33 63 1 69 33 64 1 70 33 65 1 71 34 66 1 72 35 67 1 73 37 68 1 74 37 69 1 75 38 70 1 76 38 71 1 77 39 72 1 78 40 73 1 @SUBSTRUCTURE 1 noname 1