@MOLECULE DB02333 43 44 1 SMALL USER_CHARGES @ATOM 1 P1 -4.3399 -1.2723 -4.0411 P 1 noname 0.1090 2 O1 -5.2164 -0.5696 -5.0092 O.2 1 noname -0.1763 3 O2 -5.2981 -2.1536 -3.1050 O.3 1 noname -0.0201 4 O3 -3.4243 -0.1195 -3.3919 O.3 1 noname -0.0210 5 O4 -3.4491 -2.2267 -4.9422 O.3 1 noname -0.1517 6 P2 -4.6814 -3.3345 -2.1962 P 1 noname 0.0686 7 P3 -2.8644 -0.1930 -1.9475 P 1 noname 0.0637 8 O5 -5.7640 -4.2188 -1.7262 O.2 1 noname -0.1855 9 O6 -3.9697 -2.6295 -0.9809 O.3 1 noname -0.1455 10 O7 -3.6900 -4.2078 -3.0700 O.3 1 noname -0.1575 11 O8 -2.0885 0.9886 -1.6728 O.2 1 noname -0.1869 12 O9 -4.0326 -0.2838 -0.9481 O.3 1 noname -0.1584 13 O10 -1.9700 -1.4387 -1.8063 O.3 1 noname -0.1584 14 C1 -2.8890 -3.3502 -0.4169 C.3 1 noname 0.0914 15 C2 -2.1050 -2.3998 0.4899 C.3 1 noname 0.1100 16 O11 -2.9394 -1.5309 1.2599 O.3 1 noname -0.3537 17 C3 -1.2758 -3.2141 1.4848 C.3 1 noname 0.0864 18 C4 -2.1152 -1.1709 2.3681 C.3 1 noname 0.1250 19 O12 0.0605 -3.3156 1.0089 O.3 1 noname -0.3900 20 C5 -1.3728 -2.4496 2.8059 C.3 1 noname 0.0167 21 N1 -2.8118 -0.3696 3.3477 N.3 1 noname 0.0349 22 C6 -2.7673 1.0126 3.2104 C.2 1 noname 0.0293 23 C7 -3.5411 -0.9503 4.3632 C.2 1 noname -0.0422 24 O13 -2.1602 1.6255 2.3084 O.2 1 noname -0.2799 25 N2 -3.4455 1.7920 4.1015 N.3 1 noname 0.0787 26 C8 -4.2400 -0.1632 5.2980 C.2 1 noname 0.0381 27 C9 -4.1586 1.2350 5.1198 C.2 1 noname 0.0604 28 O14 -4.7628 1.9747 5.9232 O.2 1 noname -0.2902 29 H1 -2.9186 -2.7951 -4.3791 H 1 noname 0.2283 30 H2 -3.1150 -4.7143 -2.4916 H 1 noname 0.2283 31 H3 -3.6897 -0.2571 -0.0518 H 1 noname 0.2283 32 H4 -1.8326 -1.6301 -0.8757 H 1 noname 0.2283 33 H5 -3.3409 -4.1227 0.2052 H 1 noname 0.0605 34 H6 -2.2501 -3.6296 -1.2547 H 1 noname 0.0605 35 H7 -1.5201 -1.7356 -0.1464 H 1 noname 0.0656 36 H8 -1.5661 -4.2593 1.5909 H 1 noname 0.0630 37 H9 -1.3988 -0.4002 2.0834 H 1 noname 0.0788 38 H10 0.6632 -3.3613 1.7547 H 1 noname 0.2105 39 H11 -2.0186 -3.0119 3.4804 H 1 noname 0.0335 40 H12 -0.3650 -2.1760 3.1182 H 1 noname 0.0335 41 H13 -3.5654 -2.0381 4.4272 H 1 noname 0.0759 42 H14 -3.4192 2.7972 4.0058 H 1 noname 0.1417 43 H15 -4.8107 -0.6100 6.1121 H 1 noname 0.0685 @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 17 20 1 20 18 21 1 21 18 20 1 22 21 22 1 23 21 23 1 24 22 24 2 25 22 25 1 26 23 26 2 27 25 27 1 28 26 27 1 29 27 28 2 30 5 29 1 31 10 30 1 32 12 31 1 33 13 32 1 34 14 33 1 35 14 34 1 36 15 35 1 37 17 36 1 38 18 37 1 39 19 38 1 40 20 39 1 41 20 40 1 42 23 41 1 43 25 42 1 44 26 43 1 @SUBSTRUCTURE 1 noname 1