@MOLECULE FDBD00512 55 56 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.0187 0.5523 -1.0571 O.3 1 UNK -0.4525 2 O1 0.4712 2.6897 -0.3152 O.2 1 UNK -0.2508 3 N 0.7184 -3.5935 -1.0925 N.4 1 UNK 0.2312 4 C 0.2922 0.0398 0.2559 C.3 1 UNK 0.1496 5 C1 0.0829 -1.5282 0.1914 C.3 1 UNK 0.0407 6 C2 -0.7076 0.7172 1.2474 C.3 1 UNK 0.0172 7 C3 1.0082 -2.1776 -0.8750 C.3 1 UNK -0.0257 8 C4 1.7387 0.3765 0.6554 C.ar 1 UNK -0.0035 9 C5 0.2943 -2.2151 1.5553 C.3 1 UNK -0.0535 10 C6 -2.1774 0.4667 0.9689 C.ar 1 UNK -0.0432 11 C7 2.6884 0.4429 -0.3329 C.ar 1 UNK -0.0548 12 C8 2.0136 0.5945 1.9820 C.ar 1 UNK -0.0548 13 C9 0.1493 1.9032 -1.1952 C.2 1 UNK 0.3077 14 C10 1.5683 -4.1329 -2.1539 C.3 1 UNK -0.0433 15 C11 -0.6937 -3.7824 -1.4238 C.3 1 UNK -0.0433 16 C12 -2.8623 1.3365 0.1410 C.ar 1 UNK -0.0584 17 C13 -2.7951 -0.6252 1.5498 C.ar 1 UNK -0.0584 18 C14 4.0004 0.7478 0.0298 C.ar 1 UNK -0.0614 19 C15 3.3255 0.8996 2.3446 C.ar 1 UNK -0.0614 20 C16 -0.1700 2.2773 -2.6236 C.3 1 UNK 0.0421 21 C17 4.3189 0.9762 1.3685 C.ar 1 UNK -0.0617 22 C18 -4.2140 1.1061 -0.1153 C.ar 1 UNK -0.0615 23 C19 -4.1467 -0.8555 1.2933 C.ar 1 UNK -0.0615 24 C20 -4.8561 0.0102 0.4607 C.ar 1 UNK -0.0617 25 C21 -0.0663 3.7740 -2.8595 C.3 1 UNK -0.0552 26 H 0.9183 -4.0993 -0.2296 H 1 UNK 0.2028 27 H1 -0.9382 -1.6781 -0.0911 H 1 UNK 0.0392 28 H2 -0.5412 1.7736 1.2123 H 1 UNK 0.0355 29 H3 -0.5123 0.2802 2.2044 H 1 UNK 0.0355 30 H4 0.8803 -1.6567 -1.8009 H 1 UNK 0.0818 31 H5 2.0131 -2.1071 -0.5142 H 1 UNK 0.0818 32 H6 1.3092 -2.0834 1.8675 H 1 UNK 0.0236 33 H7 0.0816 -3.2599 1.4652 H 1 UNK 0.0236 34 H8 -0.3612 -1.7788 2.2798 H 1 UNK 0.0236 35 H9 2.4383 0.2716 -1.3194 H 1 UNK 0.0622 36 H10 1.2685 0.5342 2.6935 H 1 UNK 0.0622 37 H11 1.3711 -3.6126 -3.0678 H 1 UNK 0.0777 38 H12 1.3589 -5.1741 -2.2840 H 1 UNK 0.0777 39 H13 2.5966 -4.0066 -1.8863 H 1 UNK 0.0777 40 H14 -0.9212 -3.2575 -2.3280 H 1 UNK 0.0777 41 H15 -1.3005 -3.4026 -0.6286 H 1 UNK 0.0777 42 H16 -0.8923 -4.8253 -1.5572 H 1 UNK 0.0777 43 H17 -2.3802 2.1452 -0.2816 H 1 UNK 0.0620 44 H18 -2.2636 -1.2611 2.1647 H 1 UNK 0.0620 45 H19 4.7355 0.8044 -0.6924 H 1 UNK 0.0618 46 H20 3.5611 1.0686 3.3350 H 1 UNK 0.0618 47 H21 -1.1672 1.9610 -2.8484 H 1 UNK 0.0375 48 H22 0.5432 1.7938 -3.2579 H 1 UNK 0.0375 49 H23 5.2895 1.2019 1.6367 H 1 UNK 0.0618 50 H24 -4.7389 1.7466 -0.7312 H 1 UNK 0.0618 51 H25 -4.6219 -1.6664 1.7195 H 1 UNK 0.0618 52 H26 -5.8561 -0.1603 0.2710 H 1 UNK 0.0618 53 H27 -0.7710 4.2831 -2.2356 H 1 UNK 0.0235 54 H28 -0.2784 3.9888 -3.8860 H 1 UNK 0.0235 55 H29 0.9235 4.1046 -2.6230 H 1 UNK 0.0235 @BOND 1 1 4 1 2 1 13 1 3 2 13 2 4 3 7 1 5 3 14 1 6 3 15 1 7 4 5 1 8 4 6 1 9 4 8 1 10 5 7 1 11 5 9 1 12 6 10 1 13 8 11 ar 14 8 12 ar 15 10 16 ar 16 10 17 ar 17 11 18 ar 18 12 19 ar 19 13 20 1 20 16 22 ar 21 17 23 ar 22 18 21 ar 23 19 21 ar 24 20 25 1 25 22 24 ar 26 23 24 ar 27 3 26 1 28 5 27 1 29 6 28 1 30 6 29 1 31 7 30 1 32 7 31 1 33 9 32 1 34 9 33 1 35 9 34 1 36 11 35 1 37 12 36 1 38 14 37 1 39 14 38 1 40 14 39 1 41 15 40 1 42 15 41 1 43 15 42 1 44 16 43 1 45 17 44 1 46 18 45 1 47 19 46 1 48 20 47 1 49 20 48 1 50 21 49 1 51 22 50 1 52 23 51 1 53 24 52 1 54 25 53 1 55 25 54 1 56 25 55 1