@MOLECULE DB02666 52 53 1 SMALL USER_CHARGES @ATOM 1 P1 0.3683 4.7280 0.4069 P 1 noname 0.0149 2 O1 -0.5465 4.9467 1.4972 O.2 1 noname -0.1967 3 O2 0.5022 3.2165 0.1445 O.3 1 noname -0.1525 4 O3 -0.1661 5.4235 -0.8589 O.3 1 noname -0.1645 5 O4 1.7472 5.3103 0.7692 O.3 1 noname -0.1645 6 C1 1.4044 3.0008 -0.9307 C.3 1 noname 0.0915 7 C2 1.5388 1.4833 -1.1942 C.3 1 noname 0.1141 8 O5 0.2764 0.8583 -1.5433 O.3 1 noname -0.3353 9 C3 2.4653 1.1733 -2.3830 C.3 1 noname 0.1139 10 C4 0.1400 0.8285 -2.9782 C.3 1 noname 0.2665 11 O6 3.5515 0.3842 -1.9001 O.3 1 noname -0.3873 12 C5 1.5651 0.4362 -3.4295 C.3 1 noname 0.1411 13 N1 -0.3530 2.0310 -3.4538 N.2 1 noname -0.1839 14 C6 -1.0356 -0.0782 -3.3732 C.2 1 noname 0.1139 15 O7 1.8041 -0.9801 -3.4467 O.3 1 noname -0.3845 16 C7 -1.5969 2.0158 -3.7434 C.2 1 noname 0.0027 17 O8 -1.0491 -1.3241 -3.4730 O.2 1 noname -0.2670 18 N2 -2.0988 0.8268 -3.5973 N.3 1 noname 0.0857 19 O9 -2.2832 3.0714 -4.1398 O.3 1 noname -0.2487 20 C8 -3.4682 0.4955 -3.6526 C.3 1 noname 0.0145 21 C9 -4.0745 0.5971 -2.2516 C.3 1 noname -0.0373 22 C10 -5.5604 0.2376 -2.3116 C.3 1 noname -0.0243 23 C11 -6.1668 0.3392 -0.9106 C.3 1 noname 0.1231 24 N3 -7.5867 -0.0044 -0.9679 N.3 1 noname -0.1192 25 C12 -5.4783 -0.5849 -0.0141 C.2 1 noname 0.1451 26 O10 -8.1225 0.0855 0.2701 O.3 1 noname -0.3453 27 C13 -8.2761 0.9210 -1.8656 C.3 1 noname 0.1194 28 O11 -4.8844 -0.1498 0.9961 O.2 1 noname -0.2487 29 O12 -5.4831 -1.9092 -0.2762 O.3 1 noname -0.2133 30 O13 -9.6552 0.5873 -1.9214 O.3 1 noname -0.3788 31 H1 -0.4361 4.7605 -1.4985 H 1 noname 0.2283 32 H2 1.8376 5.3484 1.7242 H 1 noname 0.2283 33 H3 0.9301 3.4569 -1.7997 H 1 noname 0.0605 34 H4 2.3665 3.3719 -0.5774 H 1 noname 0.0605 35 H5 1.8857 1.0538 -0.2544 H 1 noname 0.0657 36 H6 2.9844 2.0258 -2.8211 H 1 noname 0.0658 37 H7 3.5473 0.3872 -0.9401 H 1 noname 0.2106 38 H8 1.7681 0.6400 -4.4809 H 1 noname 0.0686 39 H9 1.8592 -1.3064 -2.5455 H 1 noname 0.2108 40 H10 -2.5977 3.5551 -3.3725 H 1 noname 0.2209 41 H11 -3.9256 1.2627 -4.2773 H 1 noname 0.0441 42 H12 -3.4999 -0.5493 -3.9616 H 1 noname 0.0441 43 H13 -3.5903 -0.1666 -1.6430 H 1 noname 0.0280 44 H14 -4.0160 1.6454 -1.9587 H 1 noname 0.0280 45 H15 -6.0447 1.0013 -2.9202 H 1 noname 0.0289 46 H16 -5.6189 -0.8107 -2.6045 H 1 noname 0.0289 47 H17 -6.0750 1.3440 -0.4982 H 1 noname 0.0601 48 H18 -8.2732 -0.7964 0.6183 H 1 noname 0.2378 49 H19 -8.2196 1.9118 -1.4149 H 1 noname 0.0760 50 H20 -7.8809 0.7547 -2.8678 H 1 noname 0.0760 51 H21 -5.4848 -2.3988 0.5495 H 1 noname 0.2213 52 H22 -10.0005 0.5037 -1.0295 H 1 noname 0.2119 @BOND 1 1 2 2 2 1 3 1 3 1 4 1 4 1 5 1 5 3 6 1 6 7 6 1 7 7 8 1 8 7 9 1 9 8 10 1 10 9 11 1 11 9 12 1 12 10 13 1 13 10 14 1 14 10 12 1 15 12 15 1 16 13 16 2 17 14 17 2 18 14 18 1 19 16 19 1 20 16 18 1 21 18 20 1 22 20 21 1 23 21 22 1 24 22 23 1 25 23 24 1 26 23 25 1 27 24 26 1 28 24 27 1 29 25 28 2 30 25 29 1 31 27 30 1 32 4 31 1 33 5 32 1 34 6 33 1 35 6 34 1 36 7 35 1 37 9 36 1 38 11 37 1 39 12 38 1 40 15 39 1 41 19 40 1 42 20 41 1 43 20 42 1 44 21 43 1 45 21 44 1 46 22 45 1 47 22 46 1 48 23 47 1 49 26 48 1 50 27 49 1 51 27 50 1 52 29 51 1 53 30 52 1 @SUBSTRUCTURE 1 noname 1