@MOLECULE DB02755 71 73 1 SMALL USER_CHARGES @ATOM 1 P1 1.9328 -1.2868 7.2982 P 1 noname 0.0149 2 O1 1.0423 -2.1138 6.5257 O.2 1 noname -0.1967 3 O2 1.9943 0.1210 6.6770 O.3 1 noname -0.1525 4 O3 1.4152 -1.1872 8.7452 O.3 1 noname -0.1645 5 O4 3.3412 -1.9097 7.2986 O.3 1 noname -0.1645 6 C1 2.8724 0.9366 7.4387 C.3 1 noname 0.0915 7 C2 2.9336 2.3367 6.8209 C.3 1 noname 0.1137 8 O5 1.5804 2.8582 6.8539 O.3 1 noname -0.3412 9 C3 3.9891 3.2042 7.5760 C.3 1 noname 0.1112 10 C4 1.4368 4.2894 6.6406 C.3 1 noname 0.1869 11 O6 4.8425 3.7930 6.6022 O.3 1 noname -0.3874 12 C5 3.3327 4.3357 8.4245 C.3 1 noname 0.1134 13 O7 1.8196 4.7203 5.3302 O.3 1 noname -0.3408 14 C6 2.2168 5.1349 7.6765 C.3 1 noname 0.1334 15 O8 2.8189 3.7340 9.6107 O.3 1 noname -0.3873 16 C7 1.0286 4.0778 4.3227 C.3 1 noname 0.1202 17 O9 1.2592 5.6668 8.5810 O.3 1 noname -0.3849 18 C8 1.7965 4.1829 2.9621 C.3 1 noname 0.1338 19 C9 -0.4658 4.5669 4.3582 C.3 1 noname 0.1116 20 O10 2.9257 5.0695 2.9631 O.3 1 noname -0.3849 21 C10 0.9205 4.7015 1.8142 C.3 1 noname 0.1869 22 O11 -1.2807 3.4837 3.9236 O.3 1 noname -0.3874 23 C11 -0.7192 5.7843 3.4372 C.3 1 noname 0.1124 24 O12 -0.2189 5.5736 2.1094 O.3 1 noname -0.3413 25 O13 0.5335 3.6259 0.9459 O.3 1 noname -0.3408 26 C12 -0.1821 7.1445 3.9251 C.3 1 noname 0.0722 27 C13 -0.1147 4.1609 -0.2467 C.3 1 noname 0.1202 28 O14 -0.7817 7.4712 5.1701 O.3 1 noname -0.3934 29 C14 -0.8693 3.0217 -1.0063 C.3 1 noname 0.1335 30 C15 0.7016 5.2181 -1.0832 C.3 1 noname 0.1116 31 O15 -0.3863 1.7602 -0.5684 O.3 1 noname -0.3849 32 C16 -0.7382 3.1190 -2.5712 C.3 1 noname 0.1838 33 O16 -0.1806 6.2167 -1.5738 O.3 1 noname -0.3874 34 C17 1.3933 4.5101 -2.2741 C.3 1 noname 0.1124 35 O17 0.4662 3.7593 -3.1288 O.3 1 noname -0.3415 36 O18 -1.8964 3.7432 -3.1054 O.3 1 noname -0.3656 37 C18 2.4778 3.5681 -1.7474 C.3 1 noname 0.0722 38 O19 3.1121 2.9189 -2.8395 O.3 1 noname -0.3934 39 H1 1.2879 -2.0697 9.1010 H 1 noname 0.2283 40 H2 3.6336 -2.0390 8.2037 H 1 noname 0.2283 41 H3 2.4103 1.0211 8.4223 H 1 noname 0.0605 42 H4 3.8562 0.4787 7.3363 H 1 noname 0.0605 43 H5 3.2031 2.3450 5.7648 H 1 noname 0.0657 44 H6 4.6145 2.5830 8.2172 H 1 noname 0.0657 45 H7 0.3556 4.4174 6.6911 H 1 noname 0.0951 46 H8 5.5445 4.2773 7.0428 H 1 noname 0.2106 47 H9 4.0851 5.0578 8.7416 H 1 noname 0.0658 48 H10 2.6953 5.9915 7.2019 H 1 noname 0.0682 49 H11 2.8554 2.7784 9.5264 H 1 noname 0.2106 50 H12 0.9737 3.0234 4.5935 H 1 noname 0.0662 51 H13 1.5472 5.5068 9.4826 H 1 noname 0.2108 52 H14 2.1931 3.1810 2.7974 H 1 noname 0.0682 53 H15 -0.7761 4.8251 5.3707 H 1 noname 0.0657 54 H16 3.1769 5.2667 3.8684 H 1 noname 0.2108 55 H17 1.5482 5.3988 1.2593 H 1 noname 0.0951 56 H18 -1.6300 3.0193 4.6878 H 1 noname 0.2106 57 H19 -1.8056 5.8417 3.3692 H 1 noname 0.0657 58 H20 0.8812 7.0337 4.1374 H 1 noname 0.0591 59 H21 -0.5221 7.9130 3.2308 H 1 noname 0.0591 60 H22 -0.8708 4.8180 0.1831 H 1 noname 0.0662 61 H23 -1.0072 6.6640 5.6383 H 1 noname 0.2101 62 H24 -1.9219 3.0409 -0.7237 H 1 noname 0.0682 63 H25 1.4229 5.7671 -0.4778 H 1 noname 0.0657 64 H26 -0.3773 1.7366 0.3913 H 1 noname 0.2108 65 H27 -0.6648 2.1112 -2.9799 H 1 noname 0.0949 66 H28 -0.5864 6.6762 -0.8350 H 1 noname 0.2106 67 H29 1.8052 5.2691 -2.9392 H 1 noname 0.0657 68 H30 -2.4572 4.0453 -2.3871 H 1 noname 0.2134 69 H31 3.2534 4.1743 -1.2793 H 1 noname 0.0591 70 H32 1.9900 2.7748 -1.1810 H 1 noname 0.0591 71 H33 3.0472 1.9677 -2.7278 H 1 noname 0.2101 @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 12 15 1 15 12 14 1 16 16 13 1 17 14 17 1 18 16 18 1 19 16 19 1 20 18 20 1 21 18 21 1 22 19 22 1 23 19 23 1 24 21 24 1 25 21 25 1 26 23 26 1 27 23 24 1 28 27 25 1 29 26 28 1 30 27 29 1 31 27 30 1 32 29 31 1 33 29 32 1 34 30 33 1 35 30 34 1 36 32 35 1 37 32 36 1 38 34 37 1 39 34 35 1 40 37 38 1 41 4 39 1 42 5 40 1 43 6 41 1 44 6 42 1 45 7 43 1 46 9 44 1 47 10 45 1 48 11 46 1 49 12 47 1 50 14 48 1 51 15 49 1 52 16 50 1 53 17 51 1 54 18 52 1 55 19 53 1 56 20 54 1 57 21 55 1 58 22 56 1 59 23 57 1 60 26 58 1 61 26 59 1 62 27 60 1 63 28 61 1 64 29 62 1 65 30 63 1 66 31 64 1 67 32 65 1 68 33 66 1 69 34 67 1 70 36 68 1 71 37 69 1 72 37 70 1 73 38 71 1 @SUBSTRUCTURE 1 noname 1