@MOLECULE 71245288 57 61 1 SMALL USER_CHARGES @ATOM 1 F1 -0.3874 -2.0280 0.3566 F 1 noname -0.1616 2 O1 -1.4787 -4.3821 0.1347 O.2 1 noname -0.2728 3 N1 5.7847 -4.9238 -3.6515 N.2 1 noname -0.2340 4 N2 3.7857 -4.3634 -2.6305 N.3 1 noname -0.0420 5 N3 -3.4597 -8.4865 -5.3266 N.3 1 noname 0.0110 6 N4 -1.5058 -5.1380 -2.0389 N.3 1 noname -0.1107 7 N5 -3.0913 -6.4427 -3.2133 N.2 1 noname -0.2038 8 N6 -5.5120 -8.8095 -4.6918 N.2 1 noname -0.1508 9 N7 -5.2869 -9.6722 -5.6264 N.2 1 noname -0.1637 10 C1 5.2751 -6.9132 -4.8038 C.3 1 noname 0.0531 11 C2 6.4245 -7.7062 -4.1503 C.3 1 noname -0.0442 12 C3 5.0096 -8.2876 -4.1767 C.3 1 noname -0.0442 13 C4 4.8679 -5.7895 -3.9933 C.2 1 noname 0.0141 14 C5 3.6502 -5.4698 -3.3939 C.2 1 noname -0.0826 15 C6 5.1320 -4.0944 -2.8567 C.2 1 noname -0.0399 16 C7 2.7064 -3.7639 -1.8557 C.2 1 noname -0.0179 17 C8 2.8450 -2.5617 -1.0781 C.2 1 noname -0.0161 18 C9 1.3977 -4.3631 -1.8083 C.2 1 noname 0.0053 19 C10 0.3244 -3.8269 -1.0572 C.2 1 noname 0.0269 20 C11 1.7836 -2.0061 -0.3406 C.2 1 noname -0.0013 21 C12 4.0750 -1.7644 -0.9418 C.3 1 noname 0.0091 22 C13 0.5334 -2.6290 -0.3340 C.2 1 noname 0.0347 23 C14 -2.1173 -7.9784 -5.4709 C.3 1 noname -0.0362 24 C15 -0.9326 -4.4698 -0.9833 C.2 1 noname 0.1043 25 C16 -4.4046 -8.0702 -4.4540 C.2 1 noname 0.0304 26 C17 -2.1057 -6.8083 -6.4668 C.3 1 noname -0.0463 27 C18 -1.0206 -9.0080 -5.8207 C.3 1 noname -0.0463 28 C19 -4.2512 -7.1455 -3.3881 C.2 1 noname 0.0408 29 C20 -4.0198 -9.4923 -6.0168 C.2 1 noname 0.0008 30 C21 -2.7394 -5.7553 -2.0900 C.2 1 noname 0.0445 31 C22 -5.2342 -7.0704 -2.3829 C.2 1 noname -0.0017 32 C23 -3.6864 -5.7915 -1.0439 C.2 1 noname 0.0023 33 C24 -4.9238 -6.4132 -1.1934 C.2 1 noname -0.0252 34 H1 5.5233 -6.7433 -5.8504 H 1 noname 0.0368 35 H2 4.5435 -8.2903 -3.1894 H 1 noname 0.0273 36 H3 5.0137 -9.2039 -4.7552 H 1 noname 0.0273 37 H4 6.7832 -7.3945 -3.1691 H 1 noname 0.0273 38 H5 7.1310 -8.1570 -4.8490 H 1 noname 0.0273 39 H6 2.8268 -6.0425 -3.5451 H 1 noname 0.0815 40 H7 5.7616 -3.3744 -2.5452 H 1 noname 0.1019 41 H8 1.2095 -5.2247 -2.3121 H 1 noname 0.0651 42 H9 1.9338 -1.1396 0.1957 H 1 noname 0.0657 43 H10 4.0196 -0.7828 -1.4307 H 1 noname 0.0280 44 H11 4.5279 -1.8193 0.0570 H 1 noname 0.0280 45 H12 4.7839 -2.1798 -1.4926 H 1 noname 0.0280 46 H13 -1.8679 -7.4928 -4.5275 H 1 noname 0.0504 47 H14 -1.0888 -6.4298 -6.5707 H 1 noname 0.0249 48 H15 -2.7539 -6.0125 -6.0999 H 1 noname 0.0249 49 H16 -2.4661 -7.1526 -7.4362 H 1 noname 0.0249 50 H17 -0.0590 -8.5013 -5.9011 H 1 noname 0.0249 51 H18 -1.2603 -9.4855 -6.7707 H 1 noname 0.0249 52 H19 -0.9686 -9.7638 -5.0370 H 1 noname 0.0249 53 H20 -0.9718 -5.1731 -2.8466 H 1 noname 0.1390 54 H21 -3.5409 -10.0524 -6.7274 H 1 noname 0.1036 55 H22 -6.1361 -7.5290 -2.4823 H 1 noname 0.0646 56 H23 -3.5178 -5.3748 -0.1482 H 1 noname 0.0656 57 H24 -5.5856 -6.4034 -0.4208 H 1 noname 0.0624 @BOND 1 1 22 1 2 2 24 2 3 3 13 1 4 3 15 2 5 4 14 1 6 4 15 1 7 4 16 1 8 5 23 1 9 5 25 1 10 5 29 1 11 6 24 1 12 6 30 1 13 6 53 1 14 7 28 2 15 7 30 1 16 8 9 1 17 8 25 2 18 9 29 2 19 10 11 1 20 10 12 1 21 10 13 1 22 10 34 1 23 11 12 1 24 11 37 1 25 11 38 1 26 12 35 1 27 12 36 1 28 13 14 2 29 14 39 1 30 15 40 1 31 16 17 1 32 16 18 2 33 17 20 2 34 17 21 1 35 18 19 1 36 18 41 1 37 19 22 2 38 19 24 1 39 20 22 1 40 20 42 1 41 21 43 1 42 21 44 1 43 21 45 1 44 23 26 1 45 23 27 1 46 23 46 1 47 25 28 1 48 26 47 1 49 26 48 1 50 26 49 1 51 27 50 1 52 27 51 1 53 27 52 1 54 28 31 1 55 29 54 1 56 30 32 2 57 31 33 2 58 31 55 1 59 32 33 1 60 32 56 1 61 33 57 1 @SUBSTRUCTURE 1 noname 1