@MOLECULE FDBD00152 45 45 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.3954 -1.7122 -0.3795 O.3 1 UNK -0.4892 2 O1 -4.1582 -2.0204 -0.4451 O.3 1 UNK -0.3831 3 O2 4.0373 1.5035 -0.3111 O.3 1 UNK -0.3826 4 N -2.9238 1.2955 0.6468 N.4 1 UNK 0.2307 5 C -3.5569 -1.0932 0.4633 C.3 1 UNK 0.1285 6 C1 -3.5555 0.2885 -0.1950 C.3 1 UNK -0.0035 7 C2 -2.8852 2.5868 -0.0258 C.3 1 UNK -0.0283 8 C3 -2.1591 -1.5960 0.8171 C.3 1 UNK 0.1204 9 C4 -2.1014 2.4803 -1.3309 C.3 1 UNK -0.0219 10 C5 -2.2641 3.6250 0.9032 C.3 1 UNK -0.0219 11 C6 -0.0458 -1.5095 -0.2701 C.ar 1 UNK 0.1206 12 C7 2.6957 -1.0965 -0.0452 C.ar 1 UNK -0.0450 13 C8 4.1656 -0.8757 0.0746 C.3 1 UNK -0.0042 14 C9 0.6033 -1.8232 0.9192 C.ar 1 UNK -0.0197 15 C10 0.6638 -0.9911 -1.3481 C.ar 1 UNK -0.0197 16 C11 1.9782 -1.6160 1.0320 C.ar 1 UNK -0.0550 17 C12 2.0386 -0.7840 -1.2354 C.ar 1 UNK -0.0550 18 C13 4.5201 0.5204 0.5956 C.3 1 UNK 0.0513 19 C14 4.3427 2.8179 0.1343 C.3 1 UNK 0.0365 20 H -5.0481 -1.7132 -0.6788 H 1 UNK 0.2102 21 H1 -1.9706 1.0018 0.8604 H 1 UNK 0.2017 22 H2 -3.4682 1.3912 1.5040 H 1 UNK 0.2017 23 H3 -4.1025 -1.0111 1.3801 H 1 UNK 0.0681 24 H4 -3.0226 0.2291 -1.1209 H 1 UNK 0.0841 25 H5 -4.5730 0.5804 -0.3510 H 1 UNK 0.0841 26 H6 -3.8816 2.8940 -0.2661 H 1 UNK 0.0845 27 H7 -1.6850 -0.9029 1.4802 H 1 UNK 0.0725 28 H8 -2.2272 -2.5492 1.2984 H 1 UNK 0.0725 29 H9 -1.0981 2.1738 -1.1204 H 1 UNK 0.0284 30 H10 -2.0885 3.4329 -1.8180 H 1 UNK 0.0284 31 H11 -2.5680 1.7595 -1.9694 H 1 UNK 0.0284 32 H12 -1.2661 3.3296 1.1517 H 1 UNK 0.0284 33 H13 -2.8475 3.6981 1.7972 H 1 UNK 0.0284 34 H14 -2.2430 4.5756 0.4124 H 1 UNK 0.0284 35 H15 4.6093 -1.0023 -0.8908 H 1 UNK 0.0335 36 H16 4.5396 -1.5860 0.7820 H 1 UNK 0.0335 37 H17 0.0701 -2.2076 1.7148 H 1 UNK 0.0654 38 H18 0.1753 -0.7607 -2.2275 H 1 UNK 0.0654 39 H19 2.4644 -1.8471 1.9125 H 1 UNK 0.0621 40 H20 2.5696 -0.3996 -2.0325 H 1 UNK 0.0621 41 H21 4.0690 0.6680 1.5546 H 1 UNK 0.0563 42 H22 5.5829 0.6083 0.6830 H 1 UNK 0.0563 43 H23 3.9657 3.5298 -0.5700 H 1 UNK 0.0523 44 H24 5.4036 2.9281 0.2197 H 1 UNK 0.0523 45 H25 3.8888 2.9856 1.0886 H 1 UNK 0.0523 @BOND 1 1 8 1 2 1 11 1 3 2 5 1 4 3 18 1 5 3 19 1 6 4 6 1 7 4 7 1 8 5 6 1 9 5 8 1 10 7 9 1 11 7 10 1 12 11 14 ar 13 11 15 ar 14 12 13 1 15 12 16 ar 16 12 17 ar 17 13 18 1 18 14 16 ar 19 15 17 ar 20 2 20 1 21 4 21 1 22 4 22 1 23 5 23 1 24 6 24 1 25 6 25 1 26 7 26 1 27 8 27 1 28 8 28 1 29 9 29 1 30 9 30 1 31 9 31 1 32 10 32 1 33 10 33 1 34 10 34 1 35 13 35 1 36 13 36 1 37 14 37 1 38 15 38 1 39 16 39 1 40 17 40 1 41 18 41 1 42 18 42 1 43 19 43 1 44 19 44 1 45 19 45 1