@MOLECULE DB02738 57 59 1 SMALL USER_CHARGES @ATOM 1 P1 9.3166 1.0770 4.8050 P 1 noname 0.1122 2 O1 9.1386 0.6039 6.1930 O.2 1 noname -0.1761 3 O2 9.2954 -0.2501 3.9260 O.3 1 noname -0.0130 4 O3 10.7385 1.8407 4.8168 O.3 1 noname -0.0130 5 O4 8.1041 2.0665 4.5136 O.3 1 noname -0.1516 6 P2 8.8772 -0.1573 2.3784 P 1 noname 0.1107 7 P3 11.5422 2.1828 3.4729 P 1 noname 0.1105 8 O5 8.4152 -1.5078 1.9920 O.2 1 noname -0.1762 9 O6 7.7235 0.9187 2.1277 O.3 1 noname -0.0199 10 O7 10.1569 0.1850 1.5223 O.3 1 noname -0.1516 11 O8 12.5201 3.2209 3.8300 O.2 1 noname -0.1762 12 O9 12.3659 0.9619 2.8022 O.3 1 noname -0.0209 13 O10 10.5751 2.7527 2.3392 O.3 1 noname -0.1516 14 P4 7.5248 1.3093 0.5844 P 1 noname 0.0686 15 P5 12.4470 -0.3140 3.6709 P 1 noname 0.0637 16 O11 6.2769 2.0533 0.4105 O.2 1 noname -0.1855 17 O12 7.4674 -0.0131 -0.2751 O.3 1 noname -0.1455 18 O13 8.7485 2.2185 0.1875 O.3 1 noname -0.1575 19 O14 13.1996 -1.3234 2.9722 O.2 1 noname -0.1869 20 O15 13.1446 0.0159 5.0036 O.3 1 noname -0.1584 21 O16 11.0253 -0.8355 3.9510 O.3 1 noname -0.1584 22 C1 7.6182 0.2333 -1.6731 C.3 1 noname 0.0915 23 C2 7.5631 -1.1400 -2.3416 C.3 1 noname 0.1130 24 O17 6.4130 -1.8813 -1.9216 O.3 1 noname -0.3483 25 C3 7.4507 -0.9072 -3.8398 C.3 1 noname 0.1127 26 C4 6.1687 -2.7743 -3.0059 C.3 1 noname 0.1590 27 O18 8.7128 -1.1487 -4.4493 O.3 1 noname -0.3873 28 C5 6.3376 -1.8717 -4.2456 C.3 1 noname 0.1258 29 N1 4.9239 -3.4749 -2.7993 N.3 1 noname 0.0257 30 O19 6.6313 -2.6176 -5.4175 O.3 1 noname -0.3857 31 C6 4.6703 -4.2811 -1.7542 C.2 1 noname 0.1238 32 C7 3.8006 -3.4714 -3.5660 C.2 1 noname -0.0362 33 N2 5.4413 -4.6478 -0.6827 N.2 1 noname -0.2441 34 C8 3.3681 -4.7477 -1.9028 C.2 1 noname 0.0254 35 N3 2.8401 -4.2470 -3.0276 N.2 1 noname -0.2172 36 C9 4.9540 -5.4839 0.2799 C.2 1 noname 0.0503 37 C10 2.8633 -5.6034 -0.9084 C.2 1 noname 0.0729 38 N4 3.6719 -5.9423 0.1448 N.2 1 noname -0.2575 39 N5 1.6107 -6.0811 -0.9756 N.3 1 noname -0.1031 40 H1 7.7319 2.3702 5.3448 H 1 noname 0.2283 41 H2 10.8911 0.3814 2.1088 H 1 noname 0.2283 42 H3 10.1714 2.0216 1.8658 H 1 noname 0.2283 43 H4 9.1801 2.5392 0.9828 H 1 noname 0.2283 44 H5 13.3795 -0.7996 5.4523 H 1 noname 0.2283 45 H6 10.8845 -0.8872 4.8992 H 1 noname 0.2283 46 H7 6.7443 0.8067 -1.9824 H 1 noname 0.0605 47 H8 8.6174 0.6471 -1.8086 H 1 noname 0.0605 48 H9 8.4174 -1.7518 -2.0517 H 1 noname 0.0657 49 H10 7.2657 0.1112 -4.1816 H 1 noname 0.0657 50 H11 6.8275 -3.6417 -3.0464 H 1 noname 0.0853 51 H12 9.3777 -1.2759 -3.7687 H 1 noname 0.2106 52 H13 5.4329 -1.3720 -4.5917 H 1 noname 0.0674 53 H14 6.5819 -3.5558 -5.2204 H 1 noname 0.2107 54 H15 3.6844 -2.9159 -4.4966 H 1 noname 0.1016 55 H16 5.5698 -5.7765 1.1304 H 1 noname 0.1062 56 H17 0.8278 -5.4435 -1.0010 H 1 noname 0.1258 57 H18 1.4511 -7.0781 -1.0010 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 7 4 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 12 15 1 15 14 16 2 16 14 17 1 17 14 18 1 18 15 19 2 19 15 20 1 20 15 21 1 21 17 22 1 22 23 22 1 23 23 24 1 24 23 25 1 25 24 26 1 26 25 27 1 27 25 28 1 28 26 29 1 29 26 28 1 30 28 30 1 31 29 31 1 32 29 32 1 33 31 33 2 34 31 34 1 35 32 35 2 36 33 36 1 37 34 37 2 38 34 35 1 39 36 38 2 40 37 39 1 41 37 38 1 42 5 40 1 43 10 41 1 44 13 42 1 45 18 43 1 46 20 44 1 47 21 45 1 48 22 46 1 49 22 47 1 50 23 48 1 51 25 49 1 52 26 50 1 53 27 51 1 54 28 52 1 55 30 53 1 56 32 54 1 57 36 55 1 58 39 56 1 59 39 57 1 @SUBSTRUCTURE 1 noname 1