@MOLECULE FDBD00741 62 64 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.1460 -2.9910 -1.5375 O.2 1 UNK -0.2694 2 O1 -5.7708 -0.3780 -1.8020 O.co2 1 UNK -0.5479 3 O2 -3.7319 0.3849 -2.4777 O.co2 1 UNK -0.5479 4 O3 3.7288 -2.8110 0.9195 O.3 1 UNK -0.4610 5 O4 1.9222 -2.2667 2.2436 O.2 1 UNK -0.2444 6 N -2.4490 -0.9075 -0.5359 N.am 1 UNK -0.2840 7 N1 0.4408 -2.0767 -0.1005 N.4 1 UNK 0.2457 8 C -3.9078 -1.0340 -0.5243 C.3 1 UNK 0.0699 9 C1 -4.5278 -0.5787 0.7931 C.3 1 UNK -0.0034 10 C2 -1.8666 0.3666 -0.0834 C.3 1 UNK 0.0408 11 C3 -3.9799 0.7349 1.2792 C.ar 1 UNK -0.0406 12 C4 -2.7108 1.1696 0.8710 C.ar 1 UNK -0.0268 13 C5 -0.2151 -1.6308 -1.3172 C.3 1 UNK 0.0531 14 C6 -1.6883 -1.9139 -1.1478 C.2 1 UNK 0.2643 15 C7 1.8776 -1.8356 -0.1595 C.3 1 UNK 0.0770 16 C8 -4.4237 -0.2623 -1.7059 C.2 1 UNK 0.0625 17 C9 2.1960 -0.3452 -0.3600 C.3 1 UNK 0.0048 18 C10 -4.7208 1.5078 2.1848 C.ar 1 UNK -0.0582 19 C11 -2.2137 2.3884 1.3570 C.ar 1 UNK -0.0568 20 C12 0.3168 -2.3708 -2.5272 C.3 1 UNK -0.0129 21 C13 3.6888 -0.0014 -0.4612 C.3 1 UNK -0.0220 22 C14 -4.2156 2.7161 2.6625 C.ar 1 UNK -0.0615 23 C15 -2.9629 3.1578 2.2468 C.ar 1 UNK -0.0614 24 C16 2.4764 -2.3134 1.1530 C.2 1 UNK 0.3560 25 C17 3.9600 1.4593 -0.7191 C.ar 1 UNK -0.0471 26 C18 4.0483 1.9153 -2.0258 C.ar 1 UNK -0.0586 27 C19 4.1162 2.3232 0.3547 C.ar 1 UNK -0.0586 28 C20 4.4195 -3.3100 2.0692 C.3 1 UNK 0.0899 29 C21 4.2989 3.2665 -2.2646 C.ar 1 UNK -0.0615 30 C22 4.3666 3.6744 0.1158 C.ar 1 UNK -0.0615 31 C23 4.4580 4.1460 -1.1939 C.ar 1 UNK -0.0617 32 C24 5.2157 -2.1839 2.6935 C.3 1 UNK -0.0306 33 H 0.2755 -3.0760 0.0200 H 1 UNK 0.2030 34 H1 0.0565 -1.5522 0.6854 H 1 UNK 0.2030 35 H2 -4.1901 -2.0630 -0.6037 H 1 UNK 0.0565 36 H3 -4.3349 -1.3242 1.5360 H 1 UNK 0.0335 37 H4 -5.5757 -0.4445 0.6234 H 1 UNK 0.0335 38 H5 -1.6842 0.9699 -0.9481 H 1 UNK 0.0514 39 H6 -0.9819 0.1059 0.4591 H 1 UNK 0.0514 40 H7 -0.0316 -0.5889 -1.4774 H 1 UNK 0.0947 41 H8 2.2916 -2.3634 -0.9931 H 1 UNK 0.0969 42 H9 1.7879 0.1945 0.4689 H 1 UNK 0.0329 43 H10 1.7654 -0.0746 -1.3014 H 1 UNK 0.0329 44 H11 -5.6471 1.1796 2.5000 H 1 UNK 0.0620 45 H12 -1.2845 2.7188 1.0530 H 1 UNK 0.0621 46 H13 0.1512 -3.4208 -2.4044 H 1 UNK 0.0289 47 H14 1.3657 -2.1844 -2.6266 H 1 UNK 0.0289 48 H15 -0.1909 -2.0300 -3.4053 H 1 UNK 0.0289 49 H16 4.1125 -0.5699 -1.2625 H 1 UNK 0.0315 50 H17 4.1283 -0.2379 0.4853 H 1 UNK 0.0315 51 H18 -4.7698 3.2824 3.3236 H 1 UNK 0.0618 52 H19 -2.5888 4.0537 2.5966 H 1 UNK 0.0618 53 H20 3.9296 1.2606 -2.8147 H 1 UNK 0.0620 54 H21 4.0478 1.9694 1.3218 H 1 UNK 0.0620 55 H22 5.0816 -4.0978 1.7760 H 1 UNK 0.0694 56 H23 3.7138 -3.6898 2.7781 H 1 UNK 0.0694 57 H24 4.3666 3.6154 -3.2335 H 1 UNK 0.0618 58 H25 4.4843 4.3253 0.9080 H 1 UNK 0.0618 59 H26 4.6434 5.1457 -1.3705 H 1 UNK 0.0618 60 H27 5.9198 -1.8074 1.9812 H 1 UNK 0.0262 61 H28 5.7383 -2.5501 3.5524 H 1 UNK 0.0262 62 H29 4.5517 -1.3983 2.9882 H 1 UNK 0.0262 @BOND 1 1 14 2 2 2 16 ar 3 3 16 ar 4 4 24 1 5 4 28 1 6 5 24 2 7 6 8 1 8 6 10 1 9 6 14 am 10 7 13 1 11 7 15 1 12 8 9 1 13 8 16 1 14 9 11 1 15 10 12 1 16 11 12 ar 17 11 18 ar 18 12 19 ar 19 13 14 1 20 13 20 1 21 15 17 1 22 15 24 1 23 17 21 1 24 18 22 ar 25 19 23 ar 26 21 25 1 27 22 23 ar 28 25 26 ar 29 25 27 ar 30 26 29 ar 31 27 30 ar 32 28 32 1 33 29 31 ar 34 30 31 ar 35 7 33 1 36 7 34 1 37 8 35 1 38 9 36 1 39 9 37 1 40 10 38 1 41 10 39 1 42 13 40 1 43 15 41 1 44 17 42 1 45 17 43 1 46 18 44 1 47 19 45 1 48 20 46 1 49 20 47 1 50 20 48 1 51 21 49 1 52 21 50 1 53 22 51 1 54 23 52 1 55 26 53 1 56 27 54 1 57 28 55 1 58 28 56 1 59 29 57 1 60 30 58 1 61 31 59 1 62 32 60 1 63 32 61 1 64 32 62 1