@MOLECULE DB03488 59 61 1 SMALL USER_CHARGES @ATOM 1 P1 -4.2208 -2.7420 -2.5185 P 1 noname 0.0748 2 O1 -5.6607 -3.0345 -2.6269 O.2 1 noname -0.1837 3 O2 -3.8170 -3.1716 -1.0236 O.3 1 noname -0.0256 4 O3 -4.0615 -1.1962 -2.9281 O.3 1 noname -0.1239 5 O4 -3.4557 -3.6493 -3.5634 O.3 1 noname -0.1563 6 P2 -2.3038 -3.3843 -0.5351 P 1 noname 0.0674 7 C1 -3.1884 -0.3313 -2.1869 C.3 1 noname 0.2064 8 O5 -2.3801 -4.1622 0.7120 O.2 1 noname -0.1856 9 O6 -1.6261 -1.9764 -0.2155 O.3 1 noname -0.1456 10 O7 -1.5328 -4.2161 -1.6354 O.3 1 noname -0.1575 11 O8 -3.0180 0.8539 -3.0264 O.3 1 noname -0.3402 12 C2 -3.6926 -0.0019 -0.7341 C.3 1 noname 0.1799 13 C3 -0.2227 -1.8591 -0.4665 C.3 1 noname 0.0915 14 C4 -2.6504 2.1416 -2.4579 C.3 1 noname 0.1124 15 F1 -4.6560 -0.8363 -0.2518 F 1 noname -0.2387 16 C5 -4.3206 1.3831 -0.5823 C.3 1 noname 0.1188 17 C6 0.1360 -0.3626 -0.6006 C.3 1 noname 0.1127 18 C7 -3.4054 2.4882 -1.1313 C.3 1 noname 0.1115 19 C8 -1.1074 2.1246 -2.3536 C.3 1 noname 0.0722 20 O9 -4.5685 1.6169 0.7996 O.3 1 noname -0.3869 21 O10 -0.5194 0.4622 0.3742 O.3 1 noname -0.3508 22 C9 1.6403 -0.1170 -0.4408 C.3 1 noname 0.1124 23 O11 -4.1589 3.6775 -1.3152 O.3 1 noname -0.3874 24 O12 -0.4433 3.3623 -2.2335 O.3 1 noname -0.3934 25 C10 0.2535 1.6744 0.3983 C.3 1 noname 0.1514 26 O13 2.2778 -0.0832 -1.7121 O.3 1 noname -0.3873 27 C11 1.7305 1.2083 0.3343 C.3 1 noname 0.1230 28 N1 -0.1941 2.6747 1.3694 N.3 1 noname 0.0573 29 O14 2.5701 2.1938 -0.2613 O.3 1 noname -0.3860 30 C12 -1.0053 3.7659 0.9895 C.2 1 noname 0.1091 31 C13 0.1364 2.5148 2.7024 C.2 1 noname -0.0431 32 O15 -1.4990 4.1627 -0.0712 O.2 1 noname -0.2474 33 N2 -1.4355 4.6505 1.9070 N.2 1 noname -0.1286 34 C14 -0.3297 3.4402 3.6755 C.2 1 noname 0.0228 35 C15 -1.1336 4.5104 3.1986 C.2 1 noname 0.0411 36 O16 -1.6703 5.4410 4.0024 O.3 1 noname -0.2572 37 H1 -2.9153 -4.2901 -3.0955 H 1 noname 0.2283 38 H2 -2.2328 -0.8458 -2.0857 H 1 noname 0.0964 39 H3 -0.9483 -4.8468 -1.2085 H 1 noname 0.2283 40 H4 -2.8332 -0.1767 -0.0868 H 1 noname 0.0744 41 H5 0.2680 -2.2483 0.4256 H 1 noname 0.0605 42 H6 -0.0568 -2.3368 -1.4321 H 1 noname 0.0605 43 H7 -2.9884 2.9119 -3.1510 H 1 noname 0.0657 44 H8 -5.2848 1.4174 -1.0894 H 1 noname 0.0661 45 H9 -0.2387 -0.0367 -1.5708 H 1 noname 0.0657 46 H10 -2.6689 2.6998 -0.3562 H 1 noname 0.0657 47 H11 -0.8589 1.6215 -1.4191 H 1 noname 0.0591 48 H12 -0.7306 1.7351 -3.2993 H 1 noname 0.0591 49 H13 -4.6505 0.7767 1.2566 H 1 noname 0.2107 50 H14 2.2016 -0.9221 0.0335 H 1 noname 0.0657 51 H15 -4.3914 4.0446 -0.4592 H 1 noname 0.2106 52 H16 -0.3290 3.5753 -1.3044 H 1 noname 0.2101 53 H17 0.0088 2.3211 -0.4443 H 1 noname 0.0816 54 H18 2.4309 -0.9804 -2.0173 H 1 noname 0.2106 55 H19 2.2588 1.1166 1.2833 H 1 noname 0.0671 56 H20 3.0040 2.7030 0.4272 H 1 noname 0.2107 57 H21 0.7595 1.6659 2.9839 H 1 noname 0.0759 58 H22 -0.0834 3.3346 4.7321 H 1 noname 0.0677 59 H23 -1.5274 5.1932 4.9188 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 14 19 1 19 16 20 1 20 16 18 1 21 17 21 1 22 17 22 1 23 18 23 1 24 19 24 1 25 21 25 1 26 22 26 1 27 22 27 1 28 25 28 1 29 25 27 1 30 27 29 1 31 28 30 1 32 28 31 1 33 30 32 2 34 30 33 1 35 31 34 2 36 33 35 2 37 34 35 1 38 35 36 1 39 5 37 1 40 7 38 1 41 10 39 1 42 12 40 1 43 13 41 1 44 13 42 1 45 14 43 1 46 16 44 1 47 17 45 1 48 18 46 1 49 19 47 1 50 19 48 1 51 20 49 1 52 22 50 1 53 23 51 1 54 24 52 1 55 25 53 1 56 26 54 1 57 27 55 1 58 29 56 1 59 31 57 1 60 34 58 1 61 36 59 1 @SUBSTRUCTURE 1 noname 1