@MOLECULE 50364375 62 66 1 SMALL USER_CHARGES @ATOM 1 F1 6.4500 4.8128 -5.1354 F 1 noname -0.1597 2 C1 6.1395 3.5848 -5.4324 C.2 1 noname 0.0387 3 C2 4.8292 3.1444 -5.2862 C.2 1 noname 0.0177 4 C3 7.1180 2.7131 -5.8959 C.2 1 noname 0.0408 5 N1 3.8859 3.9847 -4.8394 N.3 1 noname 0.0214 6 C4 4.4975 1.8324 -5.6035 C.2 1 noname -0.0231 7 C5 6.7863 1.4011 -6.2132 C.2 1 noname 0.0150 8 C6 2.7098 3.3453 -4.7802 C.2 1 noname -0.0041 9 C7 5.4760 0.9608 -6.0670 C.2 1 noname -0.0117 10 F2 7.7021 0.5853 -6.6470 F 1 noname -0.1671 11 N2 2.4672 2.2487 -4.0303 N.2 1 noname -0.2224 12 N3 1.5970 3.7092 -5.4654 N.3 1 noname 0.0094 13 C8 1.1808 1.9153 -4.2195 C.2 1 noname 0.0465 14 C9 0.6342 2.8382 -5.1046 C.2 1 noname 0.0611 15 C10 1.4728 4.7927 -6.4093 C.3 1 noname -0.0279 16 C11 0.3654 0.8816 -3.7150 C.2 1 noname 0.0506 17 N4 -0.6637 2.8053 -5.4831 N.2 1 noname -0.2220 18 C12 1.8452 4.3197 -7.8567 C.3 1 noname -0.0103 19 C13 0.0988 5.5488 -6.3747 C.3 1 noname -0.0103 20 N5 -0.9363 0.8910 -4.1186 N.2 1 noname -0.2461 21 C14 -1.4592 1.8260 -4.9608 C.2 1 noname 0.0573 22 C15 1.8454 5.5691 -8.7811 C.3 1 noname 0.0485 23 C16 0.0924 6.7098 -7.4139 C.3 1 noname 0.0485 24 C17 -2.9100 1.7801 -5.2481 C.3 1 noname 0.0809 25 O1 0.5822 6.3113 -8.7263 O.3 1 noname -0.3811 26 C18 -3.6962 2.6013 -4.2123 C.3 1 noname -0.0377 27 C19 -3.4046 2.3899 -6.5786 C.3 1 noname -0.0429 28 C20 -5.0909 2.5907 -4.8738 C.3 1 noname -0.0122 29 C21 -4.9085 2.6514 -6.4010 C.3 1 noname -0.0470 30 C22 -5.8864 3.8111 -4.4062 C.3 1 noname 0.0621 31 O2 -7.1694 3.8013 -5.0147 O.3 1 noname -0.3900 32 C23 -6.0431 3.7655 -2.8850 C.3 1 noname -0.0361 33 C24 -5.1429 5.0876 -4.8043 C.3 1 noname -0.0361 34 H1 8.1455 3.0585 -6.0105 H 1 noname 0.0684 35 H2 4.0378 4.9506 -4.5863 H 1 noname 0.1371 36 H3 3.4700 1.4871 -5.4889 H 1 noname 0.0641 37 H4 5.2158 -0.0681 -6.3159 H 1 noname 0.0653 38 H5 2.2218 5.4760 -6.0091 H 1 noname 0.0512 39 H6 0.7270 0.1059 -3.0399 H 1 noname 0.0864 40 H7 2.8696 3.9489 -7.8224 H 1 noname 0.0309 41 H8 1.0414 3.6690 -8.2012 H 1 noname 0.0309 42 H9 -0.6589 4.8368 -6.7020 H 1 noname 0.0309 43 H10 0.0216 6.0134 -5.3917 H 1 noname 0.0309 44 H11 2.5946 6.2580 -8.3908 H 1 noname 0.0566 45 H12 1.9175 5.2099 -9.8077 H 1 noname 0.0566 46 H13 -0.9483 6.9877 -7.5806 H 1 noname 0.0566 47 H14 0.8071 7.4564 -7.0677 H 1 noname 0.0566 48 H15 -3.0348 0.6973 -5.2427 H 1 noname 0.0385 49 H16 -3.7438 2.0369 -3.2810 H 1 noname 0.0278 50 H17 -3.3144 3.6223 -4.2119 H 1 noname 0.0278 51 H18 -2.9178 3.3580 -6.6970 H 1 noname 0.0274 52 H19 -3.2958 1.6273 -7.3498 H 1 noname 0.0274 53 H20 -5.6365 1.6889 -4.5959 H 1 noname 0.0332 54 H21 -5.1165 3.6703 -6.7279 H 1 noname 0.0270 55 H22 -5.4523 1.8159 -6.8418 H 1 noname 0.0270 56 H23 -7.8464 3.7961 -4.3340 H 1 noname 0.2108 57 H24 -6.0772 2.7274 -2.5542 H 1 noname 0.0259 58 H25 -5.1966 4.2682 -2.4173 H 1 noname 0.0259 59 H26 -6.9672 4.2682 -2.5996 H 1 noname 0.0259 60 H27 -4.8318 5.6218 -3.9066 H 1 noname 0.0259 61 H28 -4.2646 4.8273 -5.3950 H 1 noname 0.0259 62 H29 -5.8027 5.7232 -5.3950 H 1 noname 0.0259 @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 8 11 2 12 8 12 1 13 11 13 1 14 12 14 1 15 12 15 1 16 13 16 1 17 13 14 2 18 14 17 1 19 15 18 1 20 15 19 1 21 16 20 2 22 17 21 2 23 18 22 1 24 19 23 1 25 20 21 1 26 24 21 1 27 22 25 1 28 23 25 1 29 24 26 1 30 24 27 1 31 28 26 1 32 27 29 1 33 28 30 1 34 28 29 1 35 30 31 1 36 30 32 1 37 30 33 1 38 4 34 1 39 5 35 1 40 6 36 1 41 9 37 1 42 15 38 1 43 16 39 1 44 18 40 1 45 18 41 1 46 19 42 1 47 19 43 1 48 22 44 1 49 22 45 1 50 23 46 1 51 23 47 1 52 24 48 1 53 26 49 1 54 26 50 1 55 27 51 1 56 27 52 1 57 28 53 1 58 29 54 1 59 29 55 1 60 31 56 1 61 32 57 1 62 32 58 1 63 32 59 1 64 33 60 1 65 33 61 1 66 33 62 1 @SUBSTRUCTURE 1 noname 1