@MOLECULE DB04366 43 45 1 SMALL USER_CHARGES @ATOM 1 P1 7.1771 -4.4762 2.0861 P 1 noname 0.0669 2 O1 8.4575 -4.5361 2.7423 O.2 1 noname -0.1856 3 O2 7.3773 -4.1187 0.6016 O.3 1 noname -0.0280 4 O3 6.3047 -3.4008 2.7600 O.3 1 noname -0.1456 5 O4 6.4800 -5.8451 2.1949 O.3 1 noname -0.1576 6 P2 8.2497 -5.1941 -0.0723 P 1 noname 0.0623 7 C1 5.0421 -3.3418 2.1129 C.3 1 noname 0.0904 8 O5 8.4370 -4.8597 -1.4603 O.2 1 noname -0.1871 9 O6 7.5526 -6.5629 0.0366 O.3 1 noname -0.1585 10 O7 9.6190 -5.2581 0.6295 O.3 1 noname -0.1585 11 C2 4.1754 -2.2734 2.7823 C.3 1 noname 0.1022 12 O8 4.8123 -1.0229 2.6829 O.3 1 noname -0.3494 13 C3 2.8420 -2.1597 2.0403 C.3 1 noname 0.0637 14 C4 3.7316 -0.1147 2.8107 C.3 1 noname 0.1579 15 N1 1.7704 -2.6939 2.8792 N.3 1 noname -0.3231 16 C5 2.6524 -0.6551 1.8698 C.3 1 noname 0.1150 17 N2 4.1787 1.2306 2.6235 N.3 1 noname 0.0256 18 O9 1.3712 -0.2814 2.3548 O.3 1 noname -0.3868 19 C6 5.1501 1.8204 3.3560 C.2 1 noname 0.1238 20 C7 3.7760 2.1476 1.6925 C.2 1 noname -0.0362 21 N3 5.8896 1.3745 4.4168 N.2 1 noname -0.2441 22 C8 5.3297 3.0910 2.7896 C.2 1 noname 0.0254 23 N4 4.4794 3.2887 1.7885 N.2 1 noname -0.2172 24 C9 6.8658 2.1897 4.9378 C.2 1 noname 0.0503 25 C10 6.3361 3.9184 3.3239 C.2 1 noname 0.0729 26 N5 7.0600 3.4260 4.3705 N.2 1 noname -0.2575 27 N6 6.5731 5.1392 2.8249 N.3 1 noname -0.1031 28 H1 6.3642 -6.0725 3.1204 H 1 noname 0.2283 29 H2 5.2525 -3.0163 1.0941 H 1 noname 0.0605 30 H3 4.5788 -4.3123 2.2902 H 1 noname 0.0605 31 H4 7.4368 -6.7904 0.9620 H 1 noname 0.2283 32 H5 9.4916 -5.2521 1.5810 H 1 noname 0.2283 33 H6 4.0556 -2.4816 3.8456 H 1 noname 0.0646 34 H7 2.7943 -2.7250 1.1096 H 1 noname 0.0519 35 H8 3.3660 -0.0306 3.8341 H 1 noname 0.0852 36 H9 1.0100 -2.0956 3.1689 H 1 noname 0.1188 37 H10 1.7904 -3.6612 3.1689 H 1 noname 0.1188 38 H11 2.6605 -0.2769 0.8475 H 1 noname 0.0663 39 H12 1.3792 -0.2838 3.3147 H 1 noname 0.2107 40 H13 2.9859 1.9877 0.9588 H 1 noname 0.1016 41 H14 7.4726 1.8628 5.7822 H 1 noname 0.1062 42 H15 7.5211 5.4326 2.6369 H 1 noname 0.1258 43 H16 5.8038 5.7661 2.6369 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 19 21 2 22 19 22 1 23 20 23 2 24 21 24 1 25 22 25 2 26 22 23 1 27 24 26 2 28 25 27 1 29 25 26 1 30 5 28 1 31 7 29 1 32 7 30 1 33 9 31 1 34 10 32 1 35 11 33 1 36 13 34 1 37 14 35 1 38 15 36 1 39 15 37 1 40 16 38 1 41 18 39 1 42 20 40 1 43 24 41 1 44 27 42 1 45 27 43 1 @SUBSTRUCTURE 1 noname 1