@MOLECULE FDBD00167 55 56 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.0194 0.9165 2.6221 O.2 1 UNK -0.2746 2 N -2.2177 0.5965 -0.3915 N.4 1 UNK 0.2388 3 N1 2.6156 0.8873 -1.2239 N.ar 1 UNK -0.2585 4 N2 1.1760 2.6073 1.6198 N.am 1 UNK -0.3283 5 C 0.7627 0.5447 0.2973 C.3 1 UNK 0.1181 6 C1 0.0474 1.4753 -0.7636 C.3 1 UNK 0.0110 7 C2 -1.4211 1.8195 -0.4537 C.3 1 UNK -0.0298 8 C3 -3.6037 0.9050 -0.0392 C.3 1 UNK -0.0264 9 C4 -2.1625 -0.1168 -1.6675 C.3 1 UNK -0.0264 10 C5 0.1203 -0.8673 0.4069 C.ar 1 UNK -0.0265 11 C6 2.2598 0.3295 -0.0773 C.ar 1 UNK 0.0607 12 C7 0.6273 1.3392 1.6383 C.2 1 UNK 0.2271 13 C8 -4.4261 -0.3798 -0.0407 C.3 1 UNK -0.0218 14 C9 -3.6633 1.5924 1.3220 C.3 1 UNK -0.0218 15 C10 -2.7694 0.7543 -2.7630 C.3 1 UNK -0.0218 16 C11 -0.7218 -0.4931 -2.0015 C.3 1 UNK -0.0218 17 C12 0.6342 -1.8597 -0.3754 C.ar 1 UNK -0.0572 18 C13 -0.9174 -1.0259 1.2780 C.ar 1 UNK -0.0572 19 C14 3.0121 -0.3878 0.7914 C.ar 1 UNK -0.0390 20 C15 0.0581 -3.1262 -0.2774 C.ar 1 UNK -0.0615 21 C16 -1.4936 -2.2924 1.3761 C.ar 1 UNK -0.0615 22 C17 4.3430 -0.5616 0.4282 C.ar 1 UNK -0.0586 23 C18 -1.0058 -3.3426 0.5984 C.ar 1 UNK -0.0617 24 C19 3.9153 0.6973 -1.5438 C.ar 1 UNK 0.0279 25 C20 4.8111 -0.0119 -0.7601 C.ar 1 UNK -0.0436 26 H -1.8262 -0.0057 0.3327 H 1 UNK 0.2038 27 H1 1.1334 3.1739 2.4238 H 1 UNK 0.1450 28 H2 1.6095 2.9442 0.8026 H 1 UNK 0.1450 29 H3 0.0777 0.9798 -1.7115 H 1 UNK 0.0334 30 H4 0.5784 2.4041 -0.7478 H 1 UNK 0.0334 31 H5 -1.4755 2.3262 0.4871 H 1 UNK 0.0815 32 H6 -1.8053 2.4503 -1.2279 H 1 UNK 0.0815 33 H7 -4.0151 1.5765 -0.7636 H 1 UNK 0.0846 34 H8 -2.7291 -1.0216 -1.5954 H 1 UNK 0.0846 35 H9 -4.0248 -1.0610 0.6803 H 1 UNK 0.0284 36 H10 -4.3887 -0.8261 -1.0125 H 1 UNK 0.0284 37 H11 -5.4417 -0.1535 0.2090 H 1 UNK 0.0284 38 H12 -3.2571 0.9419 2.0682 H 1 UNK 0.0284 39 H13 -4.6808 1.8197 1.5626 H 1 UNK 0.0284 40 H14 -3.0937 2.4976 1.2897 H 1 UNK 0.0284 41 H15 -2.2115 1.6636 -2.8457 H 1 UNK 0.0284 42 H16 -3.7858 0.9806 -2.5167 H 1 UNK 0.0284 43 H17 -2.7366 0.2297 -3.6950 H 1 UNK 0.0284 44 H18 -0.1302 0.3950 -2.0800 H 1 UNK 0.0284 45 H19 -0.6976 -1.0211 -2.9318 H 1 UNK 0.0284 46 H20 -0.3274 -1.1171 -1.2269 H 1 UNK 0.0284 47 H21 1.4219 -1.6797 -1.0174 H 1 UNK 0.0621 48 H22 -1.2641 -0.2362 1.8448 H 1 UNK 0.0621 49 H23 2.6236 -0.7789 1.6639 H 1 UNK 0.0636 50 H24 0.4190 -3.9032 -0.8528 H 1 UNK 0.0618 51 H25 -2.2808 -2.4524 2.0240 H 1 UNK 0.0618 52 H26 4.9808 -1.0965 1.0382 H 1 UNK 0.0619 53 H27 -1.4320 -4.2797 0.6710 H 1 UNK 0.0618 54 H28 4.2615 1.1057 -2.4261 H 1 UNK 0.0829 55 H29 5.7949 -0.1285 -1.0492 H 1 UNK 0.0633 @BOND 1 1 12 2 2 2 7 1 3 2 8 1 4 2 9 1 5 3 11 ar 6 3 24 ar 7 4 12 am 8 5 6 1 9 5 10 1 10 5 11 1 11 5 12 1 12 6 7 1 13 8 13 1 14 8 14 1 15 9 15 1 16 9 16 1 17 10 17 ar 18 10 18 ar 19 11 19 ar 20 17 20 ar 21 18 21 ar 22 19 22 ar 23 20 23 ar 24 21 23 ar 25 22 25 ar 26 24 25 ar 27 2 26 1 28 4 27 1 29 4 28 1 30 6 29 1 31 6 30 1 32 7 31 1 33 7 32 1 34 8 33 1 35 9 34 1 36 13 35 1 37 13 36 1 38 13 37 1 39 14 38 1 40 14 39 1 41 14 40 1 42 15 41 1 43 15 42 1 44 15 43 1 45 16 44 1 46 16 45 1 47 16 46 1 48 17 47 1 49 18 48 1 50 19 49 1 51 20 50 1 52 21 51 1 53 22 52 1 54 23 53 1 55 24 54 1 56 25 55 1