@MOLECULE DB02189 45 47 1 SMALL USER_CHARGES @ATOM 1 P1 7.9069 -1.3307 3.6355 P 1 noname 0.1090 2 O1 9.0940 -1.1753 4.5016 O.2 1 noname -0.1763 3 O2 8.1057 -0.4955 2.2851 O.3 1 noname -0.0201 4 O3 7.7587 -2.9229 3.4503 O.3 1 noname -0.0210 5 O4 6.6680 -0.7762 4.4839 O.3 1 noname -0.1517 6 P2 6.8496 -0.2625 1.3257 P 1 noname 0.0686 7 P3 7.1078 -3.6039 2.2143 P 1 noname 0.0637 8 O5 7.2163 0.8035 0.3840 O.2 1 noname -0.1855 9 O6 5.6415 0.1844 2.2257 O.3 1 noname -0.1456 10 O7 6.4497 -1.5499 0.4757 O.3 1 noname -0.1575 11 O8 7.1434 -5.0339 2.3800 O.2 1 noname -0.1869 12 O9 5.6457 -3.1387 2.0826 O.3 1 noname -0.1584 13 O10 7.8868 -3.2147 0.9441 O.3 1 noname -0.1584 14 C1 4.4553 0.1252 1.4629 C.3 1 noname 0.0888 15 C2 3.2677 0.6108 2.2623 C.3 1 noname 0.0845 16 O11 3.5445 1.9388 2.6731 O.3 1 noname -0.3540 17 C3 2.0746 0.6303 1.3088 C.3 1 noname -0.0202 18 C4 2.2331 2.4418 2.8643 C.3 1 noname 0.1304 19 C5 1.4701 1.9933 1.5983 C.3 1 noname -0.0068 20 N1 2.3027 3.8395 3.1838 N.3 1 noname 0.0246 21 C6 2.9769 4.3468 4.2343 C.2 1 noname 0.1237 22 C7 1.7512 4.8897 2.5250 C.2 1 noname -0.0368 23 N2 3.7041 3.7546 5.2268 N.2 1 noname -0.2443 24 C8 2.8368 5.7292 4.1528 C.2 1 noname 0.0252 25 N3 2.0727 6.0567 3.1106 N.2 1 noname -0.2174 26 C9 4.3394 4.5085 6.1746 C.2 1 noname 0.0503 27 C10 3.4983 6.5049 5.1223 C.2 1 noname 0.0729 28 N4 4.2230 5.8703 6.0930 N.2 1 noname -0.2577 29 N5 3.4205 7.8435 5.0844 N.3 1 noname -0.1031 30 H1 6.8582 -0.8614 5.4210 H 1 noname 0.2283 31 H2 6.2262 -2.2694 1.0707 H 1 noname 0.2283 32 H3 5.2681 -3.0185 2.9570 H 1 noname 0.2283 33 H4 8.1682 -4.0095 0.4852 H 1 noname 0.2283 34 H5 4.6091 0.8253 0.6418 H 1 noname 0.0604 35 H6 4.3026 -0.9338 1.2549 H 1 noname 0.0604 36 H7 3.0848 0.0301 3.1664 H 1 noname 0.0628 37 H8 2.4502 0.6325 0.2856 H 1 noname 0.0295 38 H9 1.3654 -0.1336 1.6274 H 1 noname 0.0295 39 H10 1.7413 2.0866 3.7698 H 1 noname 0.0823 40 H11 1.7386 2.6606 0.7794 H 1 noname 0.0311 41 H12 0.4224 1.8471 1.8610 H 1 noname 0.0311 42 H13 1.1271 4.8061 1.6353 H 1 noname 0.1016 43 H14 4.9196 4.0392 6.9691 H 1 noname 0.1062 44 H15 4.2644 8.3982 5.0701 H 1 noname 0.1258 45 H16 2.5180 8.2966 5.0701 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 7 11 2 11 7 12 1 12 7 13 1 13 9 14 1 14 15 14 1 15 15 16 1 16 15 17 1 17 16 18 1 18 17 19 1 19 18 20 1 20 18 19 1 21 20 21 1 22 20 22 1 23 21 23 2 24 21 24 1 25 22 25 2 26 23 26 1 27 24 27 2 28 24 25 1 29 26 28 2 30 27 29 1 31 27 28 1 32 5 30 1 33 10 31 1 34 12 32 1 35 13 33 1 36 14 34 1 37 14 35 1 38 15 36 1 39 17 37 1 40 17 38 1 41 18 39 1 42 19 40 1 43 19 41 1 44 22 42 1 45 26 43 1 46 29 44 1 47 29 45 1 @SUBSTRUCTURE 1 noname 1