@MOLECULE FDBD00435 58 61 0 0 0 SMALL GASTEIGER @ATOM 1 N -1.4228 0.4419 -0.0148 N.4 1 UNK 0.2514 2 N1 1.1795 1.6947 0.1172 N.4 1 UNK 0.2455 3 C -0.2439 -0.2971 0.4533 C.3 1 UNK 0.0104 4 C1 -1.2801 1.8731 0.2794 C.3 1 UNK 0.0104 5 C2 -2.6430 -0.0925 0.5865 C.3 1 UNK 0.0313 6 C3 1.0362 0.2633 -0.1762 C.3 1 UNK 0.0098 7 C4 0.0001 2.4343 -0.3489 C.3 1 UNK 0.0098 8 C5 2.3990 2.2286 -0.4861 C.3 1 UNK -0.0123 9 C6 -3.8658 0.7545 0.2663 C.ar 1 UNK 0.0048 10 C7 -2.8642 -1.5586 0.2446 C.ar 1 UNK 0.0048 11 C8 3.6211 1.5312 0.0338 C.2 1 UNK -0.0389 12 C9 -4.2038 1.7873 1.1171 C.ar 1 UNK -0.0529 13 C10 -3.5302 -2.3616 1.1482 C.ar 1 UNK -0.0529 14 C11 -4.6008 0.4646 -0.8652 C.ar 1 UNK -0.0529 15 C12 -2.3918 -2.0419 -0.9586 C.ar 1 UNK -0.0529 16 C13 -5.3250 2.5636 0.8239 C.ar 1 UNK -0.0613 17 C14 -3.7326 -3.7057 0.8350 C.ar 1 UNK -0.0613 18 C15 -5.7220 1.2410 -1.1586 C.ar 1 UNK -0.0613 19 C16 -2.5942 -3.3860 -1.2718 C.ar 1 UNK -0.0613 20 C17 4.4797 0.8651 -0.7545 C.2 1 UNK -0.0536 21 C18 -6.0841 2.2904 -0.3140 C.ar 1 UNK -0.0617 22 C19 -3.2646 -4.2179 -0.3750 C.ar 1 UNK -0.0617 23 C20 5.6994 0.1803 -0.2947 C.ar 1 UNK -0.0251 24 C21 5.8213 -0.1663 1.0419 C.ar 1 UNK -0.0546 25 C22 6.7032 -0.1057 -1.2066 C.ar 1 UNK -0.0546 26 C23 6.9765 -0.8155 1.4775 C.ar 1 UNK -0.0612 27 C24 7.8583 -0.7551 -0.7710 C.ar 1 UNK -0.0612 28 C25 7.9949 -1.1099 0.5711 C.ar 1 UNK -0.0617 29 H -1.4938 0.3269 -1.0258 H 1 UNK 0.2048 30 H1 1.2519 1.8098 1.1281 H 1 UNK 0.2041 31 H2 -0.3457 -1.3273 0.1828 H 1 UNK 0.0868 32 H3 -0.1758 -0.1956 1.5163 H 1 UNK 0.0868 33 H4 -1.2396 2.0107 1.3397 H 1 UNK 0.0868 34 H5 -2.1199 2.3927 -0.1325 H 1 UNK 0.0868 35 H6 -2.5002 -0.0409 1.6457 H 1 UNK 0.0958 36 H7 1.8804 -0.2619 0.2194 H 1 UNK 0.0868 37 H8 0.9807 0.1351 -1.2370 H 1 UNK 0.0868 38 H9 -0.0669 2.3521 -1.4136 H 1 UNK 0.0868 39 H10 0.1025 3.4592 -0.0592 H 1 UNK 0.0868 40 H11 2.4711 3.2718 -0.2592 H 1 UNK 0.0861 41 H12 2.3471 2.0711 -1.5432 H 1 UNK 0.0861 42 H13 3.8112 1.5651 1.0476 H 1 UNK 0.0625 43 H14 -3.6362 1.9821 1.9567 H 1 UNK 0.0622 44 H15 -3.8729 -1.9739 2.0411 H 1 UNK 0.0622 45 H16 -4.3255 -0.3139 -1.4842 H 1 UNK 0.0622 46 H17 -1.8969 -1.4190 -1.6159 H 1 UNK 0.0622 47 H18 -5.5929 3.3400 1.4488 H 1 UNK 0.0618 48 H19 -4.2286 -4.3211 1.4985 H 1 UNK 0.0618 49 H20 -6.2836 1.0390 -2.0005 H 1 UNK 0.0618 50 H21 -2.2479 -3.7650 -2.1671 H 1 UNK 0.0618 51 H22 4.2678 0.8302 -1.7639 H 1 UNK 0.0622 52 H23 -6.9136 2.8647 -0.5310 H 1 UNK 0.0618 53 H24 -3.4143 -5.2123 -0.6068 H 1 UNK 0.0618 54 H25 5.0647 0.0538 1.7083 H 1 UNK 0.0623 55 H26 6.5971 0.1593 -2.1983 H 1 UNK 0.0623 56 H27 7.0776 -1.0780 2.4704 H 1 UNK 0.0618 57 H28 8.6118 -0.9731 -1.4416 H 1 UNK 0.0618 58 H29 8.8495 -1.5903 0.8934 H 1 UNK 0.0618 @BOND 1 1 3 1 2 1 4 1 3 1 5 1 4 2 6 1 5 2 7 1 6 2 8 1 7 3 6 1 8 4 7 1 9 5 9 1 10 5 10 1 11 8 11 1 12 9 12 ar 13 9 14 ar 14 10 13 ar 15 10 15 ar 16 11 20 2 17 12 16 ar 18 13 17 ar 19 14 18 ar 20 15 19 ar 21 16 21 ar 22 17 22 ar 23 18 21 ar 24 19 22 ar 25 20 23 1 26 23 24 ar 27 23 25 ar 28 24 26 ar 29 25 27 ar 30 26 28 ar 31 27 28 ar 32 1 29 1 33 2 30 1 34 3 31 1 35 3 32 1 36 4 33 1 37 4 34 1 38 5 35 1 39 6 36 1 40 6 37 1 41 7 38 1 42 7 39 1 43 8 40 1 44 8 41 1 45 11 42 1 46 12 43 1 47 13 44 1 48 14 45 1 49 15 46 1 50 16 47 1 51 17 48 1 52 18 49 1 53 19 50 1 54 20 51 1 55 21 52 1 56 22 53 1 57 24 54 1 58 25 55 1 59 26 56 1 60 27 57 1 61 28 58 1