@MOLECULE DB02363 47 49 1 SMALL USER_CHARGES @ATOM 1 P1 5.3403 2.7336 -0.0600 P 1 noname 0.0669 2 O1 5.5112 4.1340 -0.3484 O.2 1 noname -0.1856 3 O2 5.0596 2.5495 1.4429 O.3 1 noname -0.0280 4 O3 6.6232 1.9710 -0.4399 O.3 1 noname -0.1456 5 O4 4.1553 2.1826 -0.8748 O.3 1 noname -0.1575 6 P2 3.7767 3.3121 1.8228 P 1 noname 0.0623 7 C1 6.4547 0.5900 -0.1555 C.3 1 noname 0.0915 8 O5 3.5143 3.1399 3.2281 O.2 1 noname -0.1871 9 O6 2.5918 2.7611 1.0080 O.3 1 noname -0.1585 10 O7 3.9595 4.8098 1.5144 O.3 1 noname -0.1585 11 C2 7.7292 -0.1676 -0.5329 C.3 1 noname 0.1130 12 O8 8.8117 0.3357 0.2115 O.3 1 noname -0.3482 13 C3 7.5744 -1.6437 -0.1603 C.3 1 noname 0.1140 14 C4 9.7272 -0.7462 0.1957 C.3 1 noname 0.1603 15 O9 7.4628 -2.4213 -1.3432 O.3 1 noname -0.3873 16 C5 8.8862 -1.9761 0.5451 C.3 1 noname 0.1449 17 N1 10.8667 -0.4543 1.0088 N.3 1 noname 0.0257 18 O10 9.4642 -3.1291 -0.0490 O.3 1 noname -0.1471 19 C6 11.6719 0.6181 0.8368 C.2 1 noname 0.1238 20 C7 11.3404 -1.1314 2.0984 C.2 1 noname -0.0362 21 P3 8.4936 -4.3171 0.0855 P 1 noname 0.0169 22 N2 11.6709 1.6183 -0.0962 N.2 1 noname -0.2441 23 C8 12.5980 0.5662 1.8889 C.2 1 noname 0.0254 24 N3 12.3999 -0.5093 2.6427 N.2 1 noname -0.2172 25 O11 9.0797 -5.4864 -0.5170 O.2 1 noname -0.1962 26 O12 8.2200 -4.5902 1.5762 O.3 1 noname -0.1643 27 O13 7.1698 -3.9817 -0.6263 O.3 1 noname -0.1643 28 C9 12.5961 2.6290 0.0098 C.2 1 noname 0.0503 29 C10 13.5389 1.6084 1.9955 C.2 1 noname 0.0729 30 N4 13.4902 2.5935 1.0526 N.2 1 noname -0.2575 31 N5 14.4451 1.6317 2.9824 N.3 1 noname -0.1031 32 H1 3.4749 1.8662 -0.2761 H 1 noname 0.2283 33 H2 6.3330 0.5285 0.9259 H 1 noname 0.0605 34 H3 5.6541 0.2531 -0.8140 H 1 noname 0.0605 35 H4 1.9113 2.4447 1.6067 H 1 noname 0.2283 36 H5 4.0194 5.3009 2.3370 H 1 noname 0.2283 37 H6 7.9733 -0.0163 -1.5844 H 1 noname 0.0657 38 H7 6.6744 -1.8868 0.4045 H 1 noname 0.0658 39 H8 10.2300 -0.8636 -0.7643 H 1 noname 0.0853 40 H9 7.4842 -3.3539 -1.1163 H 1 noname 0.2106 41 H10 8.8176 -2.2382 1.6009 H 1 noname 0.0688 42 H11 10.9218 -2.0595 2.4878 H 1 noname 0.1016 43 H12 8.1921 -5.5377 1.7281 H 1 noname 0.2283 44 H13 6.4892 -3.8092 0.0284 H 1 noname 0.2283 45 H14 12.6204 3.4409 -0.7172 H 1 noname 0.1062 46 H15 15.4309 1.6405 2.7628 H 1 noname 0.1258 47 H16 14.1423 1.6405 3.9459 H 1 noname 0.1258 @BOND 1 1 2 2 2 1 3 1 3 1 4 1 4 1 5 1 5 3 6 1 6 4 7 1 7 6 8 2 8 6 9 1 9 6 10 1 10 11 7 1 11 11 12 1 12 11 13 1 13 12 14 1 14 13 15 1 15 13 16 1 16 14 17 1 17 14 16 1 18 16 18 1 19 17 19 1 20 17 20 1 21 18 21 1 22 19 22 2 23 19 23 1 24 20 24 2 25 21 25 2 26 21 26 1 27 21 27 1 28 22 28 1 29 23 29 2 30 23 24 1 31 28 30 2 32 29 31 1 33 29 30 1 34 5 32 1 35 7 33 1 36 7 34 1 37 9 35 1 38 10 36 1 39 11 37 1 40 13 38 1 41 14 39 1 42 15 40 1 43 16 41 1 44 20 42 1 45 26 43 1 46 27 44 1 47 28 45 1 48 31 46 1 49 31 47 1 @SUBSTRUCTURE 1 noname 1