@MOLECULE 136389 61 65 1 SMALL USER_CHARGES @ATOM 1 O1 -0.2870 -4.2027 -1.0124 O.2 1 noname -0.2700 2 C1 0.1028 -5.3865 -1.1086 C.2 1 noname 0.0540 3 N1 0.2349 -6.1990 -2.2738 N.3 1 noname -0.0942 4 N2 0.5428 -6.3014 -0.0570 N.3 1 noname -0.0430 5 C2 0.9624 -5.8094 -3.3993 C.2 1 noname 0.0793 6 C3 -0.3836 -7.4586 -1.9523 C.3 1 noname 0.0405 7 C4 -0.0793 -7.5665 -0.4590 C.3 1 noname 0.0241 8 C5 1.3591 -6.0346 1.0613 C.3 1 noname 0.0355 9 N3 1.1170 -4.4536 -3.5975 N.2 1 noname -0.1935 10 C6 1.5640 -6.7303 -4.3179 C.2 1 noname 0.0195 11 C7 0.0044 -8.8269 -2.5668 C.3 1 noname -0.0292 12 C8 2.8250 -6.2671 0.6897 C.3 1 noname 0.0904 13 C9 1.8390 -4.0112 -4.6553 C.2 1 noname 0.0183 14 C10 2.2997 -6.2386 -5.4093 C.2 1 noname -0.0355 15 C11 -0.8813 -9.9231 -1.9711 C.3 1 noname -0.0612 16 C12 1.4710 -9.1295 -2.2530 C.3 1 noname -0.0612 17 O2 3.6471 -5.9984 1.8159 O.3 1 noname -0.3893 18 C13 3.2139 -5.3350 -0.4596 C.3 1 noname 0.0705 19 N4 2.3984 -4.8853 -5.5243 N.3 1 noname -0.0607 20 C14 2.1495 -2.7212 -5.0619 C.2 1 noname 0.0610 21 O3 4.5743 -5.5508 -0.8044 O.3 1 noname -0.3935 22 N5 3.0298 -4.2679 -6.4602 N.2 1 noname -0.2973 23 C15 1.7727 -1.5039 -4.4297 C.2 1 noname -0.0277 24 C16 2.9074 -2.9483 -6.2216 C.2 1 noname 0.0443 25 C17 2.2048 -0.2662 -5.0170 C.2 1 noname -0.0256 26 C18 0.9931 -1.5506 -3.2252 C.2 1 noname -0.0256 27 C19 1.8740 0.9499 -4.3904 C.2 1 noname -0.0241 28 C20 0.6573 -0.3514 -2.5845 C.2 1 noname -0.0241 29 C21 1.0899 0.8712 -3.1912 C.2 1 noname -0.0118 30 C22 0.4975 2.0350 -2.6615 C.2 1 noname -0.0332 31 N6 -0.0969 2.1156 -1.4498 N.2 1 noname -0.2368 32 N7 0.2568 3.1460 -3.3857 N.3 1 noname -0.0439 33 C23 -0.8813 3.1954 -1.4842 C.2 1 noname 0.0067 34 C24 -0.6567 3.8385 -2.6963 C.2 1 noname -0.0813 35 H1 -1.3753 -7.2946 -2.3739 H 1 noname 0.0493 36 H2 0.6750 -8.3417 -0.3245 H 1 noname 0.0452 37 H3 -1.0280 -7.6309 0.0739 H 1 noname 0.0452 38 H4 1.2256 -4.9729 1.2692 H 1 noname 0.0464 39 H5 1.0762 -6.7761 1.8084 H 1 noname 0.0464 40 H6 1.4617 -7.8075 -4.1862 H 1 noname 0.0670 41 H7 -0.1325 -8.8053 -3.6480 H 1 noname 0.0314 42 H8 3.0106 -7.3108 0.4360 H 1 noname 0.0638 43 H9 2.7786 -6.8865 -6.1434 H 1 noname 0.0815 44 H10 -0.8401 -9.8721 -0.8831 H 1 noname 0.0234 45 H11 -1.9096 -9.7797 -2.3029 H 1 noname 0.0234 46 H12 -0.5251 -10.8983 -2.3029 H 1 noname 0.0234 47 H13 1.6128 -9.1588 -1.1727 H 1 noname 0.0234 48 H14 1.7426 -10.0943 -2.6814 H 1 noname 0.0234 49 H15 2.1023 -8.3510 -2.6814 H 1 noname 0.0234 50 H16 3.9333 -6.8266 2.2080 H 1 noname 0.2106 51 H17 2.6410 -5.6270 -1.3397 H 1 noname 0.0591 52 H18 3.1658 -4.3094 -0.0936 H 1 noname 0.0591 53 H19 5.0980 -5.6339 -0.0041 H 1 noname 0.2101 54 H20 3.3503 -2.1869 -6.8637 H 1 noname 0.0864 55 H21 2.7846 -0.2497 -5.9398 H 1 noname 0.0629 56 H22 0.6565 -2.4951 -2.7978 H 1 noname 0.0629 57 H23 2.2064 1.8993 -4.8103 H 1 noname 0.0630 58 H24 0.0858 -0.3688 -1.6565 H 1 noname 0.0630 59 H25 0.6762 3.4069 -4.2667 H 1 noname 0.1537 60 H26 -1.5639 3.4909 -0.6874 H 1 noname 0.0853 61 H27 -1.1286 4.7534 -3.0545 H 1 noname 0.0806 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 5 1 5 6 3 1 6 4 7 1 7 4 8 1 8 5 9 2 9 5 10 1 10 6 11 1 11 6 7 1 12 12 8 1 13 9 13 1 14 10 14 2 15 11 15 1 16 11 16 1 17 12 17 1 18 12 18 1 19 13 19 1 20 13 20 2 21 14 19 1 22 18 21 1 23 19 22 1 24 20 23 1 25 20 24 1 26 22 24 2 27 23 25 2 28 23 26 1 29 25 27 1 30 26 28 2 31 27 29 2 32 28 29 1 33 29 30 1 34 30 31 2 35 30 32 1 36 31 33 1 37 32 34 1 38 33 34 2 39 6 35 1 40 7 36 1 41 7 37 1 42 8 38 1 43 8 39 1 44 10 40 1 45 11 41 1 46 12 42 1 47 14 43 1 48 15 44 1 49 15 45 1 50 15 46 1 51 16 47 1 52 16 48 1 53 16 49 1 54 17 50 1 55 18 51 1 56 18 52 1 57 21 53 1 58 24 54 1 59 25 55 1 60 26 56 1 61 27 57 1 62 28 58 1 63 32 59 1 64 33 60 1 65 34 61 1 @SUBSTRUCTURE 1 noname 1