@MOLECULE FDBD00430 53 55 0 0 0 SMALL GASTEIGER @ATOM 1 O 6.6948 -0.3640 -2.1205 O.co2 1 UNK -0.5479 2 O1 4.0713 2.2752 1.2795 O.2 1 UNK -0.2702 3 O2 4.5447 -0.1271 -2.8066 O.co2 1 UNK -0.5479 4 O3 4.2195 -4.4354 1.0209 O.co2 1 UNK -0.5498 5 O4 5.7129 -3.2077 2.2085 O.co2 1 UNK -0.5498 6 N -2.2037 3.0043 0.4138 N.pl3 1 UNK -0.3271 7 N1 3.7291 0.6932 -0.3815 N.am 1 UNK -0.3034 8 N2 -3.9019 0.7691 0.1760 N.ar 1 UNK -0.2419 9 N3 -3.6940 -0.5736 -2.2347 N.ar 1 UNK -0.2324 10 N4 -4.5686 -2.4846 -1.2627 N.ar 1 UNK -0.1932 11 N5 -5.1941 -2.5150 1.0521 N.ar 1 UNK -0.1978 12 N6 -4.9153 -0.5693 2.3629 N.pl3 1 UNK -0.3413 13 N7 -5.4550 -4.4229 -0.2800 N.pl3 1 UNK -0.3274 14 C 5.0924 0.2330 -0.4611 C.3 1 UNK 0.0632 15 C1 5.3888 -0.9118 0.5153 C.3 1 UNK -0.0241 16 C2 -0.8319 2.6776 0.4346 C.ar 1 UNK 0.0298 17 C3 4.5906 -2.2029 0.2935 C.3 1 UNK -0.0112 18 C4 -2.9858 2.8117 -0.7914 C.3 1 UNK 0.0555 19 C5 1.8821 2.0337 0.4747 C.ar 1 UNK 0.0368 20 C6 3.3275 1.6911 0.4958 C.2 1 UNK 0.2446 21 C7 -0.2225 2.1543 -0.7057 C.ar 1 UNK -0.0399 22 C8 -0.0844 2.8791 1.5950 C.ar 1 UNK -0.0399 23 C9 5.3769 -0.1094 -1.9090 C.2 1 UNK 0.0620 24 C10 1.1346 1.8323 -0.6857 C.ar 1 UNK -0.0479 25 C11 1.2725 2.5571 1.6149 C.ar 1 UNK -0.0479 26 C12 -3.4154 1.3764 -0.9173 C.ar 1 UNK 0.0774 27 C13 -2.8464 3.5500 1.5927 C.3 1 UNK 0.0011 28 C14 4.9106 -3.2966 1.2895 C.2 1 UNK 0.0418 29 C15 -3.3129 0.7122 -2.1087 C.ar 1 UNK 0.0528 30 C16 -4.2826 -0.5165 0.0483 C.ar 1 UNK 0.1477 31 C17 -4.1834 -1.2067 -1.1618 C.ar 1 UNK 0.1851 32 C18 -4.7965 -1.2314 1.1133 C.ar 1 UNK 0.1491 33 C19 -5.0538 -3.0753 -0.1546 C.ar 1 UNK 0.2163 34 H 3.0564 0.2839 -0.9724 H 1 UNK 0.1496 35 H1 -5.2776 -1.0498 3.1421 H 1 UNK 0.1438 36 H2 -4.6355 0.3705 2.4506 H 1 UNK 0.1438 37 H3 -5.3726 -4.8824 -1.1468 H 1 UNK 0.1452 38 H4 -5.8172 -4.9032 0.4993 H 1 UNK 0.1452 39 H5 5.7618 1.0070 -0.1484 H 1 UNK 0.0560 40 H6 5.1789 -0.5621 1.5045 H 1 UNK 0.0290 41 H7 6.4138 -1.1729 0.3540 H 1 UNK 0.0290 42 H8 4.8054 -2.5679 -0.6891 H 1 UNK 0.0325 43 H9 3.5572 -1.9568 0.4217 H 1 UNK 0.0325 44 H10 -2.3933 3.0777 -1.6418 H 1 UNK 0.0529 45 H11 -3.8574 3.4303 -0.7406 H 1 UNK 0.0529 46 H12 -0.7756 2.0054 -1.5641 H 1 UNK 0.0636 47 H13 -0.5353 3.2664 2.4386 H 1 UNK 0.0636 48 H14 1.5856 1.4451 -1.5293 H 1 UNK 0.0626 49 H15 1.8256 2.7061 2.4733 H 1 UNK 0.0626 50 H16 -2.1319 3.6259 2.3856 H 1 UNK 0.0428 51 H17 -3.6459 2.9057 1.8936 H 1 UNK 0.0428 52 H18 -3.2359 4.5212 1.3693 H 1 UNK 0.0428 53 H19 -2.9345 1.2081 -2.9308 H 1 UNK 0.0849 @BOND 1 1 23 ar 2 2 20 2 3 3 23 ar 4 4 28 ar 5 5 28 ar 6 6 16 1 7 6 18 1 8 6 27 1 9 7 14 1 10 7 20 am 11 8 26 ar 12 8 30 ar 13 9 29 ar 14 9 31 ar 15 10 31 ar 16 10 33 ar 17 11 32 ar 18 11 33 ar 19 12 32 1 20 13 33 1 21 14 15 1 22 14 23 1 23 15 17 1 24 16 21 ar 25 16 22 ar 26 17 28 1 27 18 26 1 28 19 20 1 29 19 24 ar 30 19 25 ar 31 21 24 ar 32 22 25 ar 33 26 29 ar 34 30 31 ar 35 30 32 ar 36 7 34 1 37 12 35 1 38 12 36 1 39 13 37 1 40 13 38 1 41 14 39 1 42 15 40 1 43 15 41 1 44 17 42 1 45 17 43 1 46 18 44 1 47 18 45 1 48 21 46 1 49 22 47 1 50 24 48 1 51 25 49 1 52 27 50 1 53 27 51 1 54 27 52 1 55 29 53 1