@MOLECULE DB01863 44 44 1 SMALL USER_CHARGES @ATOM 1 P1 -0.9750 3.1158 -1.3063 P 1 noname 0.0165 2 O1 -2.0170 4.1019 -1.4306 O.2 1 noname -0.1963 3 O2 -0.8718 2.6603 0.1612 O.3 1 noname -0.1482 4 O3 0.3668 3.7281 -1.7493 O.3 1 noname -0.1643 5 O4 -1.3057 1.9044 -2.1978 O.3 1 noname -0.1643 6 C1 0.1516 1.6917 0.2833 C.3 1 noname 0.1328 7 C2 -0.1766 0.4541 -0.6212 C.3 1 noname 0.1316 8 C3 0.3188 1.4457 1.8055 C.3 1 noname 0.1316 9 O5 0.4806 0.5945 -1.8721 O.3 1 noname -0.1483 10 C4 0.1860 -0.9428 0.0083 C.3 1 noname 0.1137 11 O6 1.6975 1.3002 2.1128 O.3 1 noname -0.1483 12 C5 -0.4715 0.2073 2.3508 C.3 1 noname 0.1137 13 P2 0.1582 -0.6212 -2.7607 P 1 noname 0.0165 14 O7 1.5818 -1.1711 -0.1185 O.3 1 noname -0.3873 15 C6 -0.2375 -1.1066 1.5149 C.3 1 noname 0.1303 16 P3 2.4504 2.5832 1.7144 P 1 noname 0.0165 17 O8 -1.8591 0.5076 2.3821 O.3 1 noname -0.3873 18 O9 0.8246 -0.4789 -4.0292 O.2 1 noname -0.1963 19 O10 -1.3630 -0.7032 -2.9863 O.3 1 noname -0.1643 20 O11 0.6442 -1.9074 -2.0670 O.3 1 noname -0.1643 21 O12 0.7042 -1.9320 2.1843 O.3 1 noname -0.1483 22 O13 3.8485 2.4356 2.0261 O.2 1 noname -0.1963 23 O14 1.8742 3.7797 2.4941 O.3 1 noname -0.1643 24 O15 2.2844 2.8274 0.2030 O.3 1 noname -0.1643 25 P4 0.7453 -3.3156 1.5093 P 1 noname 0.0165 26 O16 1.7004 -4.1527 2.1882 O.2 1 noname -0.1963 27 O17 -0.6494 -3.9643 1.5828 O.3 1 noname -0.1643 28 O18 1.1599 -3.1553 0.0349 O.3 1 noname -0.1643 29 H1 0.8824 3.9634 -0.9745 H 1 noname 0.2283 30 H2 -1.5124 1.1472 -1.6450 H 1 noname 0.2283 31 H3 1.0848 2.0975 -0.1072 H 1 noname 0.0671 32 H4 -1.2432 0.4691 -0.8452 H 1 noname 0.0671 33 H5 -0.0125 2.3408 2.3320 H 1 noname 0.0671 34 H6 -0.2905 -1.7283 -0.5782 H 1 noname 0.0658 35 H7 -0.1919 0.0342 3.3900 H 1 noname 0.0658 36 H8 1.9761 -1.2356 0.7544 H 1 noname 0.2106 37 H9 -1.1819 -1.6510 1.5161 H 1 noname 0.0671 38 H10 -2.1522 0.5710 3.2941 H 1 noname 0.2106 39 H11 -1.8115 -0.7273 -2.1379 H 1 noname 0.2283 40 H12 0.6011 -1.7932 -1.1148 H 1 noname 0.2283 41 H13 1.9532 3.6154 3.4366 H 1 noname 0.2283 42 H14 2.2342 1.9845 -0.2538 H 1 noname 0.2283 43 H15 -0.9001 -4.0808 2.5022 H 1 noname 0.2283 44 H16 1.2715 -4.0222 -0.3622 H 1 noname 0.2283 @BOND 1 1 2 2 2 1 3 1 3 1 4 1 4 1 5 1 5 6 3 1 6 6 7 1 7 6 8 1 8 7 9 1 9 7 10 1 10 8 11 1 11 8 12 1 12 9 13 1 13 10 14 1 14 10 15 1 15 11 16 1 16 12 17 1 17 12 15 1 18 13 18 2 19 13 19 1 20 13 20 1 21 15 21 1 22 16 22 2 23 16 23 1 24 16 24 1 25 21 25 1 26 25 26 2 27 25 27 1 28 25 28 1 29 4 29 1 30 5 30 1 31 6 31 1 32 7 32 1 33 8 33 1 34 10 34 1 35 12 35 1 36 14 36 1 37 15 37 1 38 17 38 1 39 19 39 1 40 20 40 1 41 23 41 1 42 24 42 1 43 27 43 1 44 28 44 1 @SUBSTRUCTURE 1 noname 1