@MOLECULE FDBD00128 57 60 0 0 0 SMALL GASTEIGER @ATOM 1 Cl -1.4875 2.7517 1.0232 Cl 1 UNK -0.1211 2 O 3.0845 0.2946 1.8066 O.3 1 UNK -0.3802 3 O1 -0.2415 -2.3584 -1.2392 O.3 1 UNK -0.3914 4 O2 5.2903 0.0199 -0.5409 O.2 1 UNK -0.2919 5 O3 5.6989 -2.2911 0.9058 O.3 1 UNK -0.3874 6 O4 -6.2465 -0.1373 1.5880 O.2 1 UNK -0.2879 7 C 1.8192 -0.2556 -0.2569 C.3 1 UNK 0.0094 8 C1 0.8949 0.9718 -0.0991 C.3 1 UNK -0.0276 9 C2 -0.5102 0.7742 -0.6979 C.3 1 UNK -0.0148 10 C3 -1.2060 -0.4521 -0.0004 C.3 1 UNK 0.0020 11 C4 3.1165 0.3218 0.3847 C.3 1 UNK 0.1340 12 C5 1.7477 2.1351 -0.6050 C.3 1 UNK -0.0437 13 C6 1.1556 -1.4242 0.5005 C.3 1 UNK -0.0178 14 C7 3.1975 1.7683 -0.1900 C.3 1 UNK -0.0071 15 C8 -0.2846 -1.7165 0.0272 C.3 1 UNK 0.0600 16 C9 -2.6773 -0.6904 -0.5378 C.3 1 UNK 0.0132 17 C10 -1.3760 2.0597 -0.6349 C.3 1 UNK 0.0411 18 C11 2.0874 -0.6399 -1.7383 C.3 1 UNK -0.0562 19 C12 -2.7880 1.8091 -1.1665 C.3 1 UNK -0.0139 20 C13 -3.4312 0.6408 -0.4585 C.2 1 UNK -0.0546 21 C14 4.3534 -0.4700 0.0881 C.2 1 UNK 0.1904 22 C15 3.8004 2.8031 0.7557 C.3 1 UNK -0.0594 23 C16 -2.7434 -1.1803 -2.0030 C.3 1 UNK -0.0520 24 C17 -3.3648 -1.7614 0.2974 C.2 1 UNK -0.0701 25 C18 -4.5742 0.8122 0.2244 C.2 1 UNK -0.0148 26 C19 4.3783 -1.8932 0.6037 C.3 1 UNK 0.1052 27 C20 -4.4997 -1.5961 0.9838 C.2 1 UNK -0.0180 28 C21 -5.1938 -0.2958 0.9793 C.2 1 UNK 0.1787 29 H 2.3100 0.7860 2.1220 H 1 UNK 0.2108 30 H1 -1.1453 -2.5432 -1.5389 H 1 UNK 0.2098 31 H2 5.6945 -3.2039 1.2340 H 1 UNK 0.2100 32 H3 0.5957 1.1703 0.9088 H 1 UNK 0.0310 33 H4 -0.4048 0.5620 -1.7413 H 1 UNK 0.0322 34 H5 -1.3445 -0.2105 1.0327 H 1 UNK 0.0340 35 H6 1.4444 3.0530 -0.1464 H 1 UNK 0.0272 36 H7 1.6523 2.2786 -1.6610 H 1 UNK 0.0272 37 H8 1.1286 -1.1823 1.5425 H 1 UNK 0.0297 38 H9 1.7380 -2.3005 0.3061 H 1 UNK 0.0297 39 H10 3.8757 1.7839 -1.0174 H 1 UNK 0.0330 40 H11 -0.7322 -2.3687 0.7478 H 1 UNK 0.0596 41 H12 -0.8764 2.7713 -1.2584 H 1 UNK 0.0471 42 H13 2.5470 0.1841 -2.2429 H 1 UNK 0.0236 43 H14 1.1615 -0.8801 -2.2177 H 1 UNK 0.0236 44 H15 2.7384 -1.4883 -1.7744 H 1 UNK 0.0236 45 H16 -2.7355 1.5980 -2.2142 H 1 UNK 0.0325 46 H17 -3.3796 2.6831 -0.9904 H 1 UNK 0.0325 47 H18 3.1966 2.8764 1.6360 H 1 UNK 0.0233 48 H19 3.8361 3.7545 0.2674 H 1 UNK 0.0233 49 H20 4.7913 2.5040 1.0268 H 1 UNK 0.0233 50 H21 -2.2719 -0.4621 -2.6408 H 1 UNK 0.0241 51 H22 -3.7663 -1.2984 -2.2938 H 1 UNK 0.0241 52 H23 -2.2377 -2.1194 -2.0882 H 1 UNK 0.0241 53 H24 -2.9182 -2.6909 0.3369 H 1 UNK 0.0582 54 H25 -5.0298 1.7382 0.2218 H 1 UNK 0.0655 55 H26 3.7810 -1.9566 1.4892 H 1 UNK 0.0637 56 H27 3.9885 -2.5406 -0.1538 H 1 UNK 0.0637 57 H28 -4.8929 -2.3847 1.5209 H 1 UNK 0.0653 @BOND 1 1 17 1 2 2 11 1 3 3 15 1 4 4 21 2 5 5 26 1 6 6 28 2 7 7 8 1 8 7 11 1 9 7 13 1 10 7 18 1 11 8 9 1 12 8 12 1 13 9 10 1 14 9 17 1 15 10 15 1 16 10 16 1 17 11 14 1 18 11 21 1 19 12 14 1 20 13 15 1 21 14 22 1 22 16 20 1 23 16 23 1 24 16 24 1 25 17 19 1 26 19 20 1 27 20 25 2 28 21 26 1 29 24 27 2 30 25 28 1 31 27 28 1 32 2 29 1 33 3 30 1 34 5 31 1 35 8 32 1 36 9 33 1 37 10 34 1 38 12 35 1 39 12 36 1 40 13 37 1 41 13 38 1 42 14 39 1 43 15 40 1 44 17 41 1 45 18 42 1 46 18 43 1 47 18 44 1 48 19 45 1 49 19 46 1 50 22 47 1 51 22 48 1 52 22 49 1 53 23 50 1 54 23 51 1 55 23 52 1 56 24 53 1 57 25 54 1 58 26 55 1 59 26 56 1 60 27 57 1