@MOLECULE DB02836 45 48 1 SMALL USER_CHARGES @ATOM 1 P1 5.5697 0.2910 0.9855 P 1 noname 0.0237 2 O1 4.9044 1.5038 1.3856 O.2 1 noname -0.1944 3 O2 4.5597 -0.9440 1.1280 O.3 1 noname -0.1459 4 O3 5.9725 0.3886 -0.5597 O.3 1 noname -0.1470 5 O4 6.8018 0.1401 1.8969 O.3 1 noname -0.1631 6 C1 4.3698 -1.3607 -0.2161 C.3 1 noname 0.1462 7 C2 5.5169 -0.8565 -1.0681 C.3 1 noname 0.1331 8 C3 3.2149 -0.5797 -0.8318 C.3 1 noname 0.1591 9 C4 4.8205 -0.6340 -2.4195 C.3 1 noname 0.1143 10 O5 3.4073 -0.7496 -2.2358 O.3 1 noname -0.3482 11 N1 1.9619 -1.0200 -0.3337 N.3 1 noname -0.0064 12 C5 5.2934 -1.6930 -3.4174 C.3 1 noname 0.0915 13 C6 1.1979 -2.0313 -0.7847 C.2 1 noname -0.0115 14 C7 1.3692 -0.5126 0.7717 C.2 1 noname -0.0358 15 O6 4.6497 -1.4874 -4.6663 O.3 1 noname -0.1456 16 N2 1.3519 -2.8494 -1.8709 N.3 1 noname 0.0929 17 C8 0.1367 -2.1488 0.1197 C.2 1 noname 0.0554 18 N3 0.2428 -1.2097 1.0622 N.2 1 noname -0.2138 19 P2 5.1257 -2.5533 -5.6708 P 1 noname 0.0669 20 C9 0.4397 -3.8438 -2.0853 C.2 1 noname 0.0423 21 C10 -0.8003 -3.1831 -0.1047 C.2 1 noname 0.0561 22 O7 4.4729 -2.3447 -6.9373 O.2 1 noname -0.1856 23 O8 4.7748 -3.9545 -5.1371 O.3 1 noname -0.0280 24 O9 6.6505 -2.4409 -5.8545 O.3 1 noname -0.1575 25 N4 -0.5978 -3.9878 -1.2028 N.2 1 noname -0.1701 26 N5 0.5547 -4.6413 -3.1118 N.2 1 noname -0.2387 27 O10 -1.8495 -3.3736 0.7231 O.3 1 noname -0.2485 28 P3 5.2507 -5.0204 -6.1415 P 1 noname 0.0623 29 O11 4.9227 -6.3307 -5.6424 O.2 1 noname -0.1871 30 O12 6.7756 -4.9081 -6.3252 O.3 1 noname -0.1585 31 O13 4.5527 -4.7974 -7.4960 O.3 1 noname -0.1585 32 H1 6.5261 0.1739 2.8159 H 1 noname 0.2283 33 H2 4.2542 -2.4417 -0.1377 H 1 noname 0.0688 34 H3 6.4123 -1.4781 -1.0739 H 1 noname 0.0672 35 H4 3.1428 0.4850 -0.6098 H 1 noname 0.0853 36 H5 4.9957 0.3701 -2.8056 H 1 noname 0.0657 37 H6 6.3542 -1.5289 -3.6065 H 1 noname 0.0605 38 H7 4.9460 -2.6653 -3.0679 H 1 noname 0.0605 39 H8 1.7448 0.3348 1.3452 H 1 noname 0.1016 40 H9 2.1275 -2.7212 -2.5050 H 1 noname 0.0682 41 H10 7.0751 -2.4096 -4.9940 H 1 noname 0.2283 42 H11 0.5195 -5.6008 -2.7983 H 1 noname 0.1893 43 H12 -1.5522 -3.3196 1.6343 H 1 noname 0.2199 44 H13 7.2002 -4.8768 -5.4648 H 1 noname 0.2283 45 H14 4.3476 -5.6466 -7.8939 H 1 noname 0.2283 @BOND 1 1 2 2 2 1 3 1 3 1 4 1 4 1 5 1 5 6 3 1 6 7 4 1 7 6 8 1 8 6 7 1 9 7 9 1 10 8 10 1 11 8 11 1 12 9 12 1 13 9 10 1 14 11 13 1 15 11 14 1 16 12 15 1 17 13 16 1 18 13 17 2 19 14 18 2 20 15 19 1 21 16 20 1 22 17 21 1 23 17 18 1 24 19 22 2 25 19 23 1 26 19 24 1 27 20 25 1 28 20 26 2 29 21 27 1 30 21 25 2 31 23 28 1 32 28 29 2 33 28 30 1 34 28 31 1 35 5 32 1 36 6 33 1 37 7 34 1 38 8 35 1 39 9 36 1 40 12 37 1 41 12 38 1 42 14 39 1 43 16 40 1 44 24 41 1 45 26 42 1 46 27 43 1 47 30 44 1 48 31 45 1 @SUBSTRUCTURE 1 noname 1