@MOLECULE DB03103 41 42 1 SMALL USER_CHARGES @ATOM 1 P1 -5.0104 -2.7335 -1.6363 P 1 noname 0.0669 2 O1 -5.3307 -3.0805 -2.9967 O.2 1 noname -0.1856 3 O2 -5.4627 -3.8672 -0.6973 O.3 1 noname -0.0280 4 O3 -5.7365 -1.4302 -1.2544 O.3 1 noname -0.1456 5 O4 -3.4896 -2.5320 -1.5025 O.3 1 noname -0.1575 6 P2 -4.7366 -5.1705 -1.0792 P 1 noname 0.0623 7 C1 -5.4207 -1.0881 0.0871 C.3 1 noname 0.0914 8 O5 -5.1595 -6.2306 -0.2012 O.2 1 noname -0.1871 9 O6 -3.2157 -4.9690 -0.9453 O.3 1 noname -0.1585 10 O7 -5.0791 -5.5416 -2.5341 O.3 1 noname -0.1585 11 C2 -6.1420 0.2068 0.4665 C.3 1 noname 0.1100 12 O8 -7.5535 0.0197 0.3423 O.3 1 noname -0.3537 13 C3 -5.8121 0.5687 1.9196 C.3 1 noname 0.0864 14 C4 -8.0436 1.0865 1.1597 C.3 1 noname 0.1250 15 O9 -4.8692 1.6303 1.9406 O.3 1 noname -0.3900 16 C5 -7.1564 1.0738 2.4258 C.3 1 noname 0.0167 17 N1 -9.4764 0.9903 1.2807 N.3 1 noname 0.0361 18 C6 -10.2101 1.6636 0.3282 C.2 1 noname 0.0298 19 C7 -10.1086 0.2384 2.2656 C.2 1 noname -0.0377 20 O10 -9.6476 2.3278 -0.5690 O.2 1 noname -0.2798 21 N2 -11.5766 1.5814 0.3961 N.3 1 noname 0.0797 22 C8 -11.5204 0.1418 2.3748 C.2 1 noname 0.0437 23 C9 -12.2261 0.8602 1.3728 C.2 1 noname 0.0638 24 C10 -12.1872 -0.6265 3.4221 C.3 1 noname -0.0339 25 O11 -13.4759 0.8369 1.3779 O.2 1 noname -0.2887 26 H1 -3.2515 -2.5005 -0.5730 H 1 noname 0.2283 27 H2 -5.8299 -1.8937 0.6967 H 1 noname 0.0605 28 H3 -4.3486 -0.8913 0.0922 H 1 noname 0.0605 29 H4 -2.9777 -4.9374 -0.0159 H 1 noname 0.2283 30 H5 -5.1003 -6.4971 -2.6241 H 1 noname 0.2283 31 H6 -5.8823 1.0142 -0.2181 H 1 noname 0.0656 32 H7 -5.3393 -0.2100 2.5181 H 1 noname 0.0630 33 H8 -7.9972 2.0666 0.6849 H 1 noname 0.0788 34 H9 -4.6656 1.8595 2.8503 H 1 noname 0.2105 35 H10 -7.5545 0.3275 3.1133 H 1 noname 0.0335 36 H11 -7.0213 2.1033 2.7575 H 1 noname 0.0335 37 H12 -9.4758 -0.2933 2.9761 H 1 noname 0.0762 38 H13 -12.1242 2.0696 -0.2981 H 1 noname 0.1418 39 H14 -12.0627 -1.6916 3.2266 H 1 noname 0.0282 40 H15 -11.7475 -0.3807 4.3888 H 1 noname 0.0282 41 H16 -13.2490 -0.3807 3.4329 H 1 noname 0.0282 @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 17 18 1 19 17 19 1 20 18 20 2 21 18 21 1 22 19 22 2 23 21 23 1 24 22 24 1 25 22 23 1 26 23 25 2 27 5 26 1 28 7 27 1 29 7 28 1 30 9 29 1 31 10 30 1 32 11 31 1 33 13 32 1 34 14 33 1 35 15 34 1 36 16 35 1 37 16 36 1 38 19 37 1 39 21 38 1 40 24 39 1 41 24 40 1 42 24 41 1 @SUBSTRUCTURE 1 noname 1