@MOLECULE DB01713 56 58 1 SMALL USER_CHARGES @ATOM 1 P1 -4.1179 -1.3832 -4.1801 P 1 noname 0.0747 2 O1 -5.0105 -0.7408 -5.1483 O.2 1 noname -0.1837 3 O2 -5.0698 -2.1746 -3.1534 O.3 1 noname -0.0256 4 O3 -3.1994 -0.2365 -3.5363 O.3 1 noname -0.1242 5 O4 -3.1900 -2.3782 -4.9922 O.3 1 noname -0.1563 6 P2 -4.5765 -3.4059 -2.2447 P 1 noname 0.0674 7 C1 -2.8999 -0.2496 -2.1046 C.3 1 noname 0.2006 8 O5 -5.7892 -4.1920 -1.9160 O.2 1 noname -0.1856 9 O6 -3.9547 -2.8224 -0.8919 O.3 1 noname -0.1456 10 O7 -3.5981 -4.3421 -3.0605 O.3 1 noname -0.1575 11 O8 -1.7817 0.6995 -1.8737 O.3 1 noname -0.3462 12 C2 -4.1944 0.0237 -1.2284 C.3 1 noname 0.1342 13 C3 -2.8453 -3.5364 -0.3294 C.3 1 noname 0.0915 14 C4 -1.6248 1.3593 -0.5947 C.3 1 noname 0.0786 15 O9 -5.3548 -0.2241 -2.0084 O.3 1 noname -0.3849 16 C5 -4.2518 1.4646 -0.6601 C.3 1 noname 0.1131 17 C6 -2.0563 -2.5651 0.5801 C.3 1 noname 0.1127 18 C7 -2.9356 1.8734 0.0689 C.3 1 noname 0.1061 19 O10 -5.3451 1.5754 0.2394 O.3 1 noname -0.3873 20 O11 -2.8936 -1.6816 1.3415 O.3 1 noname -0.3508 21 C8 -1.2026 -3.3272 1.5968 C.3 1 noname 0.1124 22 O12 -2.8815 3.2871 0.1908 O.3 1 noname -0.3878 23 C9 -2.0241 -1.1873 2.3696 C.3 1 noname 0.1514 24 O13 0.1192 -3.4842 1.0926 O.3 1 noname -0.3873 25 C10 -1.2898 -2.4556 2.8575 C.3 1 noname 0.1230 26 N1 -2.6947 -0.3703 3.3581 N.3 1 noname 0.0573 27 O14 -0.0346 -2.1756 3.4663 O.3 1 noname -0.3860 28 C11 -2.5075 0.9943 3.2534 C.2 1 noname 0.1091 29 C12 -3.5274 -0.8833 4.3497 C.2 1 noname -0.0431 30 O15 -1.7385 1.4691 2.3898 O.2 1 noname -0.2474 31 N2 -3.1865 1.8200 4.1212 N.2 1 noname -0.1286 32 C13 -4.2291 -0.0665 5.2817 C.2 1 noname 0.0228 33 C14 -4.0217 1.3286 5.1022 C.2 1 noname 0.0411 34 O16 -4.6606 2.1966 5.9152 O.3 1 noname -0.2572 35 H1 -2.6863 -2.9184 -4.3790 H 1 noname 0.2283 36 H2 -2.5195 -1.2375 -1.8449 H 1 noname 0.0960 37 H3 -3.0626 -4.8545 -2.4503 H 1 noname 0.2283 38 H4 -4.2529 -0.6791 -0.3973 H 1 noname 0.0683 39 H5 -3.2812 -4.3143 0.2975 H 1 noname 0.0605 40 H6 -2.2100 -3.8081 -1.1724 H 1 noname 0.0605 41 H7 -1.2266 0.5802 0.0552 H 1 noname 0.0595 42 H8 -1.0221 2.2378 -0.8250 H 1 noname 0.0595 43 H9 -6.1025 -0.3838 -1.4278 H 1 noname 0.2108 44 H10 -4.4653 2.1658 -1.4669 H 1 noname 0.0658 45 H11 -1.4714 -1.9218 -0.0773 H 1 noname 0.0657 46 H12 -2.9744 1.4809 1.0850 H 1 noname 0.0653 47 H13 -5.0211 1.5425 1.1424 H 1 noname 0.2106 48 H14 -1.4710 -4.3676 1.7801 H 1 noname 0.0657 49 H15 -2.8723 3.5281 1.1200 H 1 noname 0.2106 50 H16 -1.3589 -0.4070 1.9998 H 1 noname 0.0816 51 H17 0.7347 -3.5573 1.8257 H 1 noname 0.2106 52 H18 -1.7444 -2.9613 3.7093 H 1 noname 0.0671 53 H19 -0.1303 -2.1970 4.4213 H 1 noname 0.2107 54 H20 -3.6341 -1.9670 4.3983 H 1 noname 0.0759 55 H21 -4.8692 -0.4736 6.0643 H 1 noname 0.0677 56 H22 -4.4890 1.9633 6.8304 H 1 noname 0.2199 @BOND 1 1 2 2 2 1 3 1 3 1 4 1 4 1 5 1 5 3 6 1 6 7 4 1 7 6 8 2 8 6 9 1 9 6 10 1 10 7 11 1 11 7 12 1 12 9 13 1 13 11 14 1 14 12 15 1 15 12 16 1 16 17 13 1 17 14 18 1 18 16 19 1 19 16 18 1 20 17 20 1 21 17 21 1 22 18 22 1 23 20 23 1 24 21 24 1 25 21 25 1 26 23 26 1 27 23 25 1 28 25 27 1 29 26 28 1 30 26 29 1 31 28 30 2 32 28 31 1 33 29 32 2 34 31 33 2 35 32 33 1 36 33 34 1 37 5 35 1 38 7 36 1 39 10 37 1 40 12 38 1 41 13 39 1 42 13 40 1 43 14 41 1 44 14 42 1 45 15 43 1 46 16 44 1 47 17 45 1 48 18 46 1 49 19 47 1 50 21 48 1 51 22 49 1 52 23 50 1 53 24 51 1 54 25 52 1 55 27 53 1 56 29 54 1 57 32 55 1 58 34 56 1 @SUBSTRUCTURE 1 noname 1