@MOLECULE FDBD00679 51 53 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.8632 -2.3202 0.3787 O.2 1 UNK -0.2960 2 O1 -5.1631 -1.3770 -0.4597 O.co2 1 UNK -0.5489 3 O2 -5.5417 0.7520 0.2845 O.co2 1 UNK -0.5489 4 N -1.4207 1.4259 -0.3425 N.4 1 UNK 0.2385 5 N1 5.9708 0.1747 -0.0725 N.4 1 UNK 0.2270 6 C -0.4920 0.3791 -0.1351 C.3 1 UNK -0.0109 7 C1 -0.9616 -0.9307 0.1175 C.3 1 UNK 0.0611 8 C2 -0.9186 2.7732 -0.6013 C.3 1 UNK -0.0345 9 C3 0.9016 0.5667 -0.1653 C.3 1 UNK -0.0059 10 C4 1.7843 -0.4977 0.0453 C.3 1 UNK -0.0327 11 C5 -2.7754 1.1507 -0.2939 C.3 1 UNK -0.0166 12 C6 -2.4238 -1.1975 0.1628 C.2 1 UNK 0.1553 13 C7 -3.3295 -0.0450 -0.0642 C.3 1 UNK 0.0970 14 C8 -0.0771 -1.9972 0.3285 C.3 1 UNK -0.0380 15 C9 1.2960 -1.7762 0.2916 C.3 1 UNK -0.0489 16 C10 3.2129 -0.2682 0.0051 C.3 1 UNK -0.0284 17 C11 -0.7460 3.5258 0.7041 C.3 1 UNK -0.0245 18 C12 -4.7892 -0.1464 -0.0497 C.2 1 UNK 0.0571 19 C13 4.0702 -1.2811 -0.4086 C.3 1 UNK -0.0093 20 C14 3.7315 0.9656 0.3802 C.3 1 UNK -0.0093 21 C15 5.4291 -1.0113 -0.4294 C.3 1 UNK -0.0334 22 C16 5.1055 1.1349 0.3242 C.3 1 UNK -0.0334 23 H -2.2045 2.0553 -0.5157 H 1 UNK 0.2037 24 H1 6.4870 0.5344 -0.8753 H 1 UNK 0.2013 25 H2 6.5474 -0.0254 0.7447 H 1 UNK 0.2013 26 H3 -0.5374 1.4275 -0.3442 H 1 UNK 0.0858 27 H4 -0.0909 -0.3175 0.0140 H 1 UNK 0.0433 28 H5 -1.6150 3.2970 -1.2222 H 1 UNK 0.0812 29 H6 0.0290 2.7048 -1.0936 H 1 UNK 0.0812 30 H7 1.1247 1.2974 0.5838 H 1 UNK 0.0323 31 H8 1.0794 0.8153 -1.1907 H 1 UNK 0.0323 32 H9 0.7481 -0.5224 0.3110 H 1 UNK 0.0305 33 H10 -3.1578 1.4583 -1.2447 H 1 UNK 0.0825 34 H11 -3.0280 1.6459 0.6203 H 1 UNK 0.0825 35 H12 -3.8554 -0.9614 0.1047 H 1 UNK 0.0491 36 H13 -0.2927 -2.7308 -0.4199 H 1 UNK 0.0274 37 H14 -0.2565 -2.2694 1.3476 H 1 UNK 0.0274 38 H15 1.6839 -2.0781 1.2420 H 1 UNK 0.0268 39 H16 1.6136 -2.3322 -0.5657 H 1 UNK 0.0268 40 H17 2.1533 -0.4166 -0.0001 H 1 UNK 0.0307 41 H18 -1.6904 3.5978 1.2018 H 1 UNK 0.0281 42 H19 -0.3731 4.5083 0.5027 H 1 UNK 0.0281 43 H20 -0.0527 3.0022 1.3287 H 1 UNK 0.0281 44 H21 3.7842 -1.5545 -1.4028 H 1 UNK 0.0320 45 H22 3.9595 -2.0458 0.3316 H 1 UNK 0.0320 46 H23 3.4292 1.1444 1.3909 H 1 UNK 0.0320 47 H24 3.3467 1.6507 -0.3461 H 1 UNK 0.0320 48 H25 5.8791 -1.7401 0.2119 H 1 UNK 0.0814 49 H26 5.6202 -1.0131 -1.4822 H 1 UNK 0.0814 50 H27 5.2690 1.9624 -0.3342 H 1 UNK 0.0814 51 H28 5.3439 1.2056 1.3649 H 1 UNK 0.0814 @BOND 1 1 12 2 2 2 18 ar 3 3 18 ar 4 4 6 1 5 4 8 1 6 4 11 1 7 5 21 1 8 5 22 1 9 6 7 1 10 6 9 1 11 7 12 1 12 7 14 1 13 8 17 1 14 9 10 1 15 10 15 1 16 10 16 1 17 11 13 1 18 12 13 1 19 13 18 1 20 14 15 1 21 16 19 1 22 16 20 1 23 19 21 1 24 20 22 1 25 4 23 1 26 5 24 1 27 5 25 1 28 6 26 1 29 7 27 1 30 8 28 1 31 8 29 1 32 9 30 1 33 9 31 1 34 10 32 1 35 11 33 1 36 11 34 1 37 13 35 1 38 14 36 1 39 14 37 1 40 15 38 1 41 15 39 1 42 16 40 1 43 17 41 1 44 17 42 1 45 17 43 1 46 19 44 1 47 19 45 1 48 20 46 1 49 20 47 1 50 21 48 1 51 21 49 1 52 22 50 1 53 22 51 1