@MOLECULE DB07269 60 61 1 SMALL USER_CHARGES @ATOM 1 P1 -0.2802 -1.9983 0.8302 P 1 noname 0.0297 2 O1 0.3647 -3.1658 0.2872 O.2 1 noname -0.2578 3 O2 0.3350 -0.7336 0.2028 O.3 1 noname -0.2180 4 C1 -0.0648 -1.9615 2.4656 C.3 1 noname 0.1008 5 C2 -1.8936 -2.0524 0.4890 C.3 1 noname 0.0478 6 N1 1.3140 -1.9152 2.7572 N.3 1 noname -0.0280 7 C3 -0.7500 -0.7211 3.0425 C.3 1 noname -0.0200 8 C4 -2.5474 -0.8688 1.0394 C.3 1 noname 0.0807 9 C5 1.8786 -2.8906 3.4820 C.2 1 noname 0.0518 10 C6 -0.5502 -0.6869 4.5590 C.3 1 noname -0.0605 11 C7 -0.1388 0.5354 2.4192 C.3 1 noname -0.0605 12 C8 -1.9642 0.3303 0.4447 C.2 1 noname -0.0463 13 C9 -4.0435 -0.9190 0.7231 C.2 1 noname 0.1391 14 O3 1.1830 -3.8416 3.8996 O.2 1 noname -0.2522 15 O4 3.1987 -2.8464 3.7611 O.3 1 noname -0.1972 16 C10 -1.4527 0.2870 -0.8471 C.2 1 noname -0.0445 17 C11 -1.9204 1.5151 1.1701 C.2 1 noname -0.0526 18 O5 -4.8790 -0.9264 1.6528 O.2 1 noname -0.2530 19 O6 -4.4612 -0.9552 -0.5602 O.3 1 noname -0.2166 20 C12 3.7970 -3.8800 4.5292 C.3 1 noname 0.0828 21 C13 -0.8974 1.4285 -1.4133 C.2 1 noname -0.0463 22 C14 -1.3652 2.6567 0.6039 C.2 1 noname -0.0569 23 C15 5.2215 -3.6036 4.6913 C.2 1 noname -0.0434 24 C16 -0.8536 2.6134 -0.6879 C.2 1 noname -0.0524 25 C17 -0.3601 1.3830 -2.7701 C.3 1 noname 0.0179 26 C18 6.0223 -4.4820 5.4118 C.2 1 noname -0.0497 27 C19 5.7767 -2.4621 4.1250 C.2 1 noname -0.0497 28 N2 1.0542 1.0156 -2.7222 N.3 1 noname -0.3265 29 C20 7.3784 -4.2189 5.5660 C.2 1 noname -0.0585 30 C21 7.1328 -2.1989 4.2793 C.2 1 noname -0.0585 31 C22 7.9337 -3.0773 4.9998 C.2 1 noname -0.0611 32 H1 0.6241 -0.1392 0.8990 H 1 noname 0.2237 33 H2 -0.4027 -2.8447 3.0077 H 1 noname 0.0603 34 H3 -2.0283 -1.9649 -0.5891 H 1 noname 0.0405 35 H4 -2.3393 -2.8886 1.0278 H 1 noname 0.0405 36 H5 1.9114 -1.1655 2.4392 H 1 noname 0.1345 37 H6 -1.8158 -0.7568 2.8171 H 1 noname 0.0321 38 H7 -2.3573 -0.8432 2.1124 H 1 noname 0.0466 39 H8 -0.4998 -1.7063 4.9419 H 1 noname 0.0234 40 H9 0.3781 -0.1651 4.7916 H 1 noname 0.0234 41 H10 -1.3867 -0.1651 5.0240 H 1 noname 0.0234 42 H11 0.1895 1.2103 3.2097 H 1 noname 0.0234 43 H12 0.7151 0.2563 1.8019 H 1 noname 0.0234 44 H13 -0.8855 1.0349 1.8019 H 1 noname 0.0234 45 H14 -1.4870 -0.6422 -1.4160 H 1 noname 0.0629 46 H15 -2.3216 1.5491 2.1831 H 1 noname 0.0625 47 H16 -4.5527 -1.8686 -0.8412 H 1 noname 0.2213 48 H17 3.3429 -3.8277 5.5187 H 1 noname 0.0625 49 H18 3.7097 -4.7908 3.9369 H 1 noname 0.0625 50 H19 -1.3309 3.5858 1.1728 H 1 noname 0.0622 51 H20 -0.4182 3.5085 -1.1319 H 1 noname 0.0626 52 H21 -0.8783 0.5749 -3.2863 H 1 noname 0.0476 53 H22 -0.4086 2.3992 -3.1615 H 1 noname 0.0476 54 H23 5.5869 -5.3772 5.8558 H 1 noname 0.0626 55 H24 5.1487 -1.7732 3.5600 H 1 noname 0.0626 56 H25 1.3227 0.0421 -2.7056 H 1 noname 0.1187 57 H26 1.7626 1.7352 -2.7056 H 1 noname 0.1187 58 H27 8.0064 -4.9077 6.1311 H 1 noname 0.0622 59 H28 7.5683 -1.3038 3.8352 H 1 noname 0.0622 60 H29 8.9971 -2.8710 5.1208 H 1 noname 0.0622 @BOND 1 1 2 2 2 1 3 1 3 1 4 1 4 1 5 1 5 4 6 1 6 4 7 1 7 8 5 1 8 6 9 1 9 7 10 1 10 7 11 1 11 8 12 1 12 8 13 1 13 9 14 2 14 9 15 1 15 12 16 2 16 12 17 1 17 13 18 2 18 13 19 1 19 15 20 1 20 16 21 1 21 17 22 2 22 20 23 1 23 21 24 2 24 21 25 1 25 22 24 1 26 23 26 2 27 23 27 1 28 25 28 1 29 26 29 1 30 27 30 2 31 29 31 2 32 30 31 1 33 3 32 1 34 4 33 1 35 5 34 1 36 5 35 1 37 6 36 1 38 7 37 1 39 8 38 1 40 10 39 1 41 10 40 1 42 10 41 1 43 11 42 1 44 11 43 1 45 11 44 1 46 16 45 1 47 17 46 1 48 19 47 1 49 20 48 1 50 20 49 1 51 22 50 1 52 24 51 1 53 25 52 1 54 25 53 1 55 26 54 1 56 27 55 1 57 28 56 1 58 28 57 1 59 29 58 1 60 30 59 1 61 31 60 1 @SUBSTRUCTURE 1 noname 1