@MOLECULE FDBD00889 56 57 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.1512 0.7333 2.0984 O.3 1 UNK -0.5065 2 N 2.5549 -0.7006 -0.2129 N.4 1 UNK 0.2388 3 C 2.0564 -0.0340 0.9853 C.3 1 UNK -0.0306 4 C1 0.5828 -0.3895 1.2144 C.3 1 UNK -0.0016 5 C2 -0.3208 0.0243 0.0233 C.3 1 UNK 0.0175 6 C3 2.4423 -2.1536 -0.0781 C.3 1 UNK -0.0264 7 C4 3.9442 -0.3201 -0.4729 C.3 1 UNK -0.0264 8 C5 -1.7277 -0.5516 0.1201 C.ar 1 UNK 0.0019 9 C6 -0.3542 1.5301 -0.2211 C.ar 1 UNK -0.0397 10 C7 3.2552 -2.6383 1.1190 C.3 1 UNK -0.0218 11 C8 2.9130 -2.8210 -1.3663 C.3 1 UNK -0.0218 12 C9 4.8302 -0.7155 0.7050 C.3 1 UNK -0.0218 13 C10 4.0191 1.1806 -0.7355 C.3 1 UNK -0.0218 14 C11 -2.1298 -1.4565 -0.8414 C.ar 1 UNK -0.0516 15 C12 -2.5557 -0.1591 1.1516 C.ar 1 UNK 0.1206 16 C13 -0.5527 1.9893 -1.5051 C.ar 1 UNK -0.0580 17 C14 -0.1851 2.3799 0.8506 C.ar 1 UNK -0.0580 18 C15 -3.4158 -1.9918 -0.7678 C.ar 1 UNK -0.0499 19 C16 -3.8417 -0.6944 1.2251 C.ar 1 UNK -0.0196 20 C17 -4.2717 -1.6108 0.2655 C.ar 1 UNK -0.0554 21 C18 -0.5836 3.3657 -1.7286 C.ar 1 UNK -0.0615 22 C19 -0.2161 3.7564 0.6271 C.ar 1 UNK -0.0615 23 C20 -0.4153 4.2493 -0.6626 C.ar 1 UNK -0.0617 24 C21 -3.8766 -2.9719 -1.7930 C.3 1 UNK -0.0397 25 H -1.2896 1.0995 2.0593 H 1 UNK 0.2921 26 H1 1.9841 -0.4038 -1.0044 H 1 UNK 0.2038 27 H2 2.1500 1.0251 0.8654 H 1 UNK 0.0815 28 H3 2.6291 -0.3581 1.8291 H 1 UNK 0.0815 29 H4 0.2414 0.1136 2.0949 H 1 UNK 0.0326 30 H5 0.5173 -1.4525 1.3179 H 1 UNK 0.0326 31 H6 0.1437 -0.4134 -0.8355 H 1 UNK 0.0400 32 H7 1.4195 -2.4182 0.0915 H 1 UNK 0.0846 33 H8 4.3001 -0.8379 -1.3390 H 1 UNK 0.0846 34 H9 4.2853 -2.3864 0.9762 H 1 UNK 0.0284 35 H10 3.1570 -3.6998 1.2105 H 1 UNK 0.0284 36 H11 2.8933 -2.1685 2.0096 H 1 UNK 0.0284 37 H12 3.9357 -2.5642 -1.5479 H 1 UNK 0.0284 38 H13 2.3101 -2.4840 -2.1835 H 1 UNK 0.0284 39 H14 2.8234 -3.8830 -1.2712 H 1 UNK 0.0284 40 H15 4.4964 -0.2110 1.5875 H 1 UNK 0.0284 41 H16 5.8430 -0.4395 0.4979 H 1 UNK 0.0284 42 H17 4.7724 -1.7733 0.8555 H 1 UNK 0.0284 43 H18 3.6656 1.7111 0.1238 H 1 UNK 0.0284 44 H19 3.4108 1.4255 -1.5810 H 1 UNK 0.0284 45 H20 5.0334 1.4578 -0.9335 H 1 UNK 0.0284 46 H21 -1.4895 -1.7325 -1.6023 H 1 UNK 0.0624 47 H22 -0.6762 1.3270 -2.2869 H 1 UNK 0.0620 48 H23 -0.0383 2.0048 1.8008 H 1 UNK 0.0620 49 H24 -4.4750 -0.4124 1.9895 H 1 UNK 0.0654 50 H25 -5.2231 -2.0069 0.3200 H 1 UNK 0.0621 51 H26 -0.7310 3.7303 -2.6827 H 1 UNK 0.0618 52 H27 -0.0917 4.4102 1.4159 H 1 UNK 0.0618 53 H28 -0.4381 5.2677 -0.8280 H 1 UNK 0.0618 54 H29 -3.0928 -3.1424 -2.5012 H 1 UNK 0.0278 55 H30 -4.7354 -2.5821 -2.2984 H 1 UNK 0.0278 56 H31 -4.1322 -3.8944 -1.3150 H 1 UNK 0.0278 @BOND 1 1 15 1 2 2 3 1 3 2 6 1 4 2 7 1 5 3 4 1 6 4 5 1 7 5 8 1 8 5 9 1 9 6 10 1 10 6 11 1 11 7 12 1 12 7 13 1 13 8 14 ar 14 8 15 ar 15 9 16 ar 16 9 17 ar 17 14 18 ar 18 15 19 ar 19 16 21 ar 20 17 22 ar 21 18 20 ar 22 18 24 1 23 19 20 ar 24 21 23 ar 25 22 23 ar 26 1 25 1 27 2 26 1 28 3 27 1 29 3 28 1 30 4 29 1 31 4 30 1 32 5 31 1 33 6 32 1 34 7 33 1 35 10 34 1 36 10 35 1 37 10 36 1 38 11 37 1 39 11 38 1 40 11 39 1 41 12 40 1 42 12 41 1 43 12 42 1 44 13 43 1 45 13 44 1 46 13 45 1 47 14 46 1 48 16 47 1 49 17 48 1 50 19 49 1 51 20 50 1 52 21 51 1 53 22 52 1 54 23 53 1 55 24 54 1 56 24 55 1 57 24 56 1