@MOLECULE FDBD00302 45 47 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.3553 -1.9444 -1.4582 O.2 1 UNK -0.2750 2 N -1.8657 0.5312 0.2029 N.ar 1 UNK -0.1459 3 N1 -0.4996 2.2015 -0.3847 N.ar 1 UNK -0.2962 4 N2 0.1982 -3.6172 0.0469 N.am 1 UNK -0.3071 5 C -0.5870 0.0650 0.3721 C.ar 1 UNK 0.2240 6 C1 0.2307 1.1077 0.0050 C.ar 1 UNK 0.1197 7 C2 -1.7599 1.8388 -0.2599 C.ar 1 UNK 0.2890 8 C3 -0.2761 -1.2962 0.8546 C.3 1 UNK 0.1115 9 C4 1.6614 1.0782 0.0175 C.ar 1 UNK 0.0046 10 C5 -3.0792 -0.1132 0.4274 C.ar 1 UNK 0.1820 11 C6 -4.2303 0.5443 0.1910 C.ar 1 UNK 0.0138 12 C7 -2.9766 2.5357 -0.5105 C.ar 1 UNK 0.0297 13 C8 -0.1508 -2.3047 -0.2956 C.2 1 UNK 0.2253 14 C9 -4.1557 1.9207 -0.2964 C.ar 1 UNK -0.0454 15 C10 2.3652 0.6615 -1.1154 C.ar 1 UNK -0.0522 16 C11 2.3619 1.4660 1.1627 C.ar 1 UNK -0.0522 17 C12 -5.5857 -0.0511 0.3980 C.3 1 UNK -0.0341 18 C13 4.4554 1.0202 0.0420 C.ar 1 UNK -0.0504 19 C14 3.7598 0.6324 -1.1032 C.ar 1 UNK -0.0582 20 C15 3.7564 1.4371 1.1748 C.ar 1 UNK -0.0582 21 C16 0.3496 -4.6739 -0.9509 C.3 1 UNK 0.0028 22 C17 0.4369 -4.0288 1.4251 C.3 1 UNK 0.0028 23 C18 5.9463 0.9893 0.0551 C.3 1 UNK -0.0397 24 H -0.1556 3.0713 -0.6919 H 1 UNK 0.1717 25 H1 -1.0588 -1.6166 1.5100 H 1 UNK 0.0468 26 H2 0.6653 -1.2578 1.3617 H 1 UNK 0.0468 27 H3 -3.0964 -1.0859 0.7718 H 1 UNK 0.1384 28 H4 -2.9548 3.5083 -0.8549 H 1 UNK 0.0701 29 H5 -5.0308 2.4354 -0.4816 H 1 UNK 0.0625 30 H6 1.8519 0.3745 -1.9634 H 1 UNK 0.0624 31 H7 1.8462 1.7746 2.0017 H 1 UNK 0.0624 32 H8 -5.4837 -1.0550 0.7539 H 1 UNK 0.0279 33 H9 -6.1194 -0.0540 -0.5294 H 1 UNK 0.0279 34 H10 -6.1242 0.5295 1.1176 H 1 UNK 0.0279 35 H11 4.2769 0.3240 -1.9414 H 1 UNK 0.0620 36 H12 4.2711 1.7242 2.0220 H 1 UNK 0.0620 37 H13 0.1552 -4.2754 -1.9247 H 1 UNK 0.0428 38 H14 -0.3433 -5.4624 -0.7433 H 1 UNK 0.0428 39 H15 1.3478 -5.0577 -0.9153 H 1 UNK 0.0428 40 H16 0.3025 -3.1903 2.0761 H 1 UNK 0.0428 41 H17 1.4372 -4.3967 1.5193 H 1 UNK 0.0428 42 H18 -0.2538 -4.8014 1.6913 H 1 UNK 0.0428 43 H19 6.3043 0.6458 -0.8929 H 1 UNK 0.0278 44 H20 6.2826 0.3264 0.8248 H 1 UNK 0.0278 45 H21 6.3218 1.9735 0.2428 H 1 UNK 0.0278 @BOND 1 1 13 2 2 2 5 ar 3 2 7 ar 4 2 10 ar 5 3 6 ar 6 3 7 ar 7 4 13 am 8 4 21 1 9 4 22 1 10 5 6 ar 11 5 8 1 12 6 9 1 13 7 12 ar 14 8 13 1 15 9 15 ar 16 9 16 ar 17 10 11 ar 18 11 14 ar 19 11 17 1 20 12 14 ar 21 15 19 ar 22 16 20 ar 23 18 19 ar 24 18 20 ar 25 18 23 1 26 3 24 1 27 8 25 1 28 8 26 1 29 10 27 1 30 12 28 1 31 14 29 1 32 15 30 1 33 16 31 1 34 17 32 1 35 17 33 1 36 17 34 1 37 19 35 1 38 20 36 1 39 21 37 1 40 21 38 1 41 21 39 1 42 22 40 1 43 22 41 1 44 22 42 1 45 23 43 1 46 23 44 1 47 23 45 1