@MOLECULE 136506 50 55 1 SMALL USER_CHARGES @ATOM 1 F1 -1.4184 -6.7173 6.6013 F 1 noname -0.1655 2 C1 -2.1527 -6.6070 5.5331 C.2 1 noname 0.0232 3 C2 -1.5316 -6.7397 4.2452 C.2 1 noname -0.0057 4 C3 -3.5582 -6.3564 5.6784 C.2 1 noname -0.0057 5 C4 -2.3329 -6.5798 3.0619 C.2 1 noname -0.0349 6 C5 -4.3583 -6.2210 4.4957 C.2 1 noname -0.0349 7 C6 -3.7392 -6.3215 3.1931 C.2 1 noname -0.0485 8 C7 -4.4648 -6.2508 1.9075 C.3 1 noname 0.0750 9 N1 -5.3707 -5.1791 1.6269 N.3 1 noname -0.0678 10 C8 -5.3811 -7.4842 1.7299 C.3 1 noname 0.0785 11 C9 -5.1586 -3.8025 1.8162 C.2 1 noname 0.0803 12 C10 -6.5667 -5.7901 1.1096 C.2 1 noname 0.1411 13 O1 -6.7050 -6.9865 1.8610 O.3 1 noname -0.1844 14 N2 -4.2307 -3.3372 2.7355 N.2 1 noname -0.1908 15 C11 -5.9444 -2.8531 1.0892 C.2 1 noname 0.0219 16 O2 -7.3148 -5.3635 0.2035 O.2 1 noname -0.2290 17 C12 -4.1132 -1.9986 3.0253 C.2 1 noname 0.0198 18 C13 -5.8118 -1.4873 1.3948 C.2 1 noname -0.0350 19 N3 -4.9300 -1.1274 2.3700 N.3 1 noname -0.0582 20 C14 -3.3193 -1.2556 3.9340 C.2 1 noname 0.0612 21 N4 -4.7565 0.0727 2.8104 N.2 1 noname -0.2970 22 C15 -2.2835 -1.6795 4.8676 C.2 1 noname -0.0135 23 C16 -3.8038 0.0518 3.7522 C.2 1 noname 0.0444 24 C17 -1.7891 -0.8310 5.9325 C.2 1 noname -0.0215 25 C18 -1.7729 -3.0072 4.7337 C.2 1 noname -0.0215 26 C19 -0.8930 -1.3609 6.9242 C.2 1 noname -0.0067 27 C20 -0.8845 -3.5493 5.7072 C.2 1 noname -0.0067 28 C21 -0.5129 -2.7519 6.8436 C.2 1 noname -0.0037 29 C22 0.1326 -3.4664 7.9185 C.2 1 noname 0.1092 30 O3 0.4631 -4.7718 7.7985 O.3 1 noname -0.3262 31 N5 0.4139 -3.1074 9.1961 N.2 1 noname -0.1305 32 C23 0.8998 -5.2087 8.9916 C.2 1 noname 0.1505 33 N6 0.8579 -4.1609 9.8240 N.2 1 noname -0.1394 34 N7 1.2999 -6.4521 9.2905 N.3 1 noname -0.0560 35 H1 -0.4667 -6.9588 4.1670 H 1 noname 0.0653 36 H2 -4.0088 -6.2708 6.6672 H 1 noname 0.0653 37 H3 -1.8782 -6.6538 2.0740 H 1 noname 0.0627 38 H4 -5.4299 -6.0429 4.5862 H 1 noname 0.0627 39 H5 -3.6070 -6.0691 1.2600 H 1 noname 0.0552 40 H6 -5.2906 -7.8488 0.7067 H 1 noname 0.0594 41 H7 -5.2254 -8.1650 2.5668 H 1 noname 0.0594 42 H8 -6.6379 -3.1677 0.3093 H 1 noname 0.0670 43 H9 -6.3861 -0.7160 0.8816 H 1 noname 0.0815 44 H10 -3.4779 0.9473 4.2812 H 1 noname 0.0864 45 H11 -2.0937 0.2141 5.9881 H 1 noname 0.0629 46 H12 -2.0650 -3.6147 3.8771 H 1 noname 0.0629 47 H13 -0.5100 -0.7218 7.7198 H 1 noname 0.0630 48 H14 -0.4946 -4.5597 5.5843 H 1 noname 0.0630 49 H15 0.6180 -7.1886 9.4031 H 1 noname 0.1279 50 H16 2.2833 -6.6529 9.4031 H 1 noname 0.1279 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 4 6 2 6 5 7 2 7 6 7 1 8 8 7 1 9 8 9 1 10 8 10 1 11 9 11 1 12 9 12 1 13 10 13 1 14 11 14 2 15 11 15 1 16 12 16 2 17 12 13 1 18 14 17 1 19 15 18 2 20 17 19 1 21 17 20 2 22 18 19 1 23 19 21 1 24 20 22 1 25 20 23 1 26 21 23 2 27 22 24 2 28 22 25 1 29 24 26 1 30 25 27 2 31 26 28 2 32 27 28 1 33 28 29 1 34 29 30 1 35 29 31 2 36 30 32 1 37 31 33 1 38 32 34 1 39 32 33 2 40 3 35 1 41 4 36 1 42 5 37 1 43 6 38 1 44 8 39 1 45 10 40 1 46 10 41 1 47 15 42 1 48 18 43 1 49 23 44 1 50 24 45 1 51 25 46 1 52 26 47 1 53 27 48 1 54 34 49 1 55 34 50 1 @SUBSTRUCTURE 1 noname 1