@MOLECULE FDBD00732 65 70 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.8427 -3.0719 -0.7025 O.2 1 UNK -0.2696 2 O1 -3.6186 -0.2529 -2.0144 O.2 1 UNK -0.2698 3 N 3.2275 -1.0670 0.4781 N.am 1 UNK -0.2663 4 N1 4.0145 3.0606 -0.7100 N.ar 1 UNK -0.2444 5 N2 6.0375 2.1725 -0.6912 N.ar 1 UNK -0.2408 6 N3 -3.1737 -1.4347 -0.0311 N.am 1 UNK -0.2815 7 C 2.5318 1.2919 0.2130 C.3 1 UNK 0.0296 8 C1 2.6696 0.1133 1.1593 C.3 1 UNK 0.0276 9 C2 3.8599 1.7947 -0.2020 C.ar 1 UNK 0.1514 10 C3 5.1297 1.2489 -0.2010 C.ar 1 UNK 0.1775 11 C4 4.6629 -1.1808 0.4539 C.ar 1 UNK 0.0478 12 C5 5.5387 -0.0927 0.2190 C.ar 1 UNK 0.0466 13 C6 5.3364 3.2415 -0.9843 C.ar 1 UNK 0.2526 14 C7 2.4361 -2.0662 -0.1209 C.2 1 UNK 0.2509 15 C8 5.2168 -2.4510 0.7325 C.ar 1 UNK -0.0396 16 C9 6.9307 -0.3269 0.2980 C.ar 1 UNK -0.0487 17 C10 0.9770 -1.9023 -0.0978 C.ar 1 UNK 0.0373 18 C11 6.5938 -2.6534 0.7953 C.ar 1 UNK -0.0600 19 C12 7.4522 -1.5883 0.5834 C.ar 1 UNK -0.0610 20 C13 5.8427 4.5084 -1.5413 C.3 1 UNK 0.0373 21 C14 0.3409 -1.2339 -1.1390 C.ar 1 UNK -0.0479 22 C15 0.2414 -2.4165 0.9653 C.ar 1 UNK -0.0479 23 C16 -1.7877 -1.5915 -0.0538 C.ar 1 UNK 0.0337 24 C17 -1.0450 -1.0781 -1.1170 C.ar 1 UNK -0.0398 25 C18 -1.1446 -2.2608 0.9873 C.ar 1 UNK -0.0398 26 C19 -5.4368 -0.7679 -0.6581 C.ar 1 UNK 0.0447 27 C20 -5.9800 0.2763 0.0627 C.ar 1 UNK -0.0058 28 C21 -3.9856 -0.7968 -0.9785 C.2 1 UNK 0.2488 29 C22 -5.1776 1.3857 0.5407 C.ar 1 UNK -0.0172 30 C23 -6.2051 -1.8233 -1.1111 C.ar 1 UNK -0.0490 31 C24 -7.3465 0.2662 0.3428 C.ar 1 UNK -0.0533 32 C25 -7.5715 -1.8334 -0.8310 C.ar 1 UNK -0.0610 33 C26 -8.1422 -0.7886 -0.1041 C.ar 1 UNK -0.0611 34 C27 -4.5786 1.3185 1.7968 C.ar 1 UNK -0.0540 35 C28 -5.0088 2.5149 -0.2576 C.ar 1 UNK -0.0540 36 C29 -3.8070 2.3857 2.2567 C.ar 1 UNK -0.0612 37 C30 -4.2372 3.5821 0.2023 C.ar 1 UNK -0.0612 38 C31 -3.6363 3.5175 1.4595 C.ar 1 UNK -0.0617 39 H 3.2975 3.7204 -0.8510 H 1 UNK 0.3107 40 H1 7.0087 2.0517 -0.7977 H 1 UNK 0.3110 41 H2 -3.6388 -1.8197 0.7465 H 1 UNK 0.1551 42 H3 1.9988 2.0772 0.7070 H 1 UNK 0.0365 43 H4 2.0008 0.9700 -0.6584 H 1 UNK 0.0365 44 H5 3.3185 0.3885 1.9644 H 1 UNK 0.0473 45 H6 1.6955 -0.1396 1.5227 H 1 UNK 0.0473 46 H7 4.5841 -3.2502 0.8938 H 1 UNK 0.0636 47 H8 7.5803 0.4592 0.1397 H 1 UNK 0.0625 48 H9 6.9717 -3.5920 0.9986 H 1 UNK 0.0618 49 H10 8.4734 -1.7271 0.6364 H 1 UNK 0.0618 50 H11 5.0292 5.1912 -1.6712 H 1 UNK 0.0351 51 H12 6.3064 4.3220 -2.4874 H 1 UNK 0.0351 52 H13 6.5601 4.9318 -0.8697 H 1 UNK 0.0351 53 H14 0.8923 -0.8548 -1.9246 H 1 UNK 0.0626 54 H15 0.7193 -2.9112 1.7346 H 1 UNK 0.0626 55 H16 -1.5209 -0.5830 -1.8873 H 1 UNK 0.0636 56 H17 -1.6942 -2.6408 1.7738 H 1 UNK 0.0636 57 H18 -5.7746 -2.5921 -1.6483 H 1 UNK 0.0625 58 H19 -7.7687 1.0392 0.8807 H 1 UNK 0.0624 59 H20 -8.1602 -2.6139 -1.1616 H 1 UNK 0.0618 60 H21 -9.1532 -0.7960 0.1030 H 1 UNK 0.0618 61 H22 -4.7055 0.4807 2.3859 H 1 UNK 0.0624 62 H23 -5.4538 2.5617 -1.1875 H 1 UNK 0.0624 63 H24 -3.3624 2.3379 3.1868 H 1 UNK 0.0618 64 H25 -4.1109 4.4194 -0.3876 H 1 UNK 0.0618 65 H26 -3.0655 4.3070 1.7998 H 1 UNK 0.0618 @BOND 1 1 14 2 2 2 28 2 3 3 8 1 4 3 11 1 5 3 14 am 6 4 9 ar 7 4 13 ar 8 5 10 ar 9 5 13 ar 10 6 23 1 11 6 28 am 12 7 8 1 13 7 9 1 14 9 10 ar 15 10 12 1 16 11 12 ar 17 11 15 ar 18 12 16 ar 19 13 20 1 20 14 17 1 21 15 18 ar 22 16 19 ar 23 17 21 ar 24 17 22 ar 25 18 19 ar 26 21 24 ar 27 22 25 ar 28 23 24 ar 29 23 25 ar 30 26 27 ar 31 26 28 1 32 26 30 ar 33 27 29 1 34 27 31 ar 35 29 34 ar 36 29 35 ar 37 30 32 ar 38 31 33 ar 39 32 33 ar 40 34 36 ar 41 35 37 ar 42 36 38 ar 43 37 38 ar 44 4 39 1 45 5 40 1 46 6 41 1 47 7 42 1 48 7 43 1 49 8 44 1 50 8 45 1 51 15 46 1 52 16 47 1 53 18 48 1 54 19 49 1 55 20 50 1 56 20 51 1 57 20 52 1 58 21 53 1 59 22 54 1 60 24 55 1 61 25 56 1 62 30 57 1 63 31 58 1 64 32 59 1 65 33 60 1 66 34 61 1 67 35 62 1 68 36 63 1 69 37 64 1 70 38 65 1