@MOLECULE FDBD01144 61 63 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.4193 -1.8975 -1.3902 O.2 1 UNK -0.2680 2 O1 -4.1627 1.5507 -3.0413 O.co2 1 UNK -0.5478 3 O2 -2.0628 1.3080 -2.1886 O.co2 1 UNK -0.5478 4 O3 2.4565 -2.7538 -0.8862 O.3 1 UNK -0.4610 5 O4 1.5077 -3.0335 1.1959 O.2 1 UNK -0.2444 6 N -2.6344 0.6614 1.1016 N.3 1 UNK -0.2236 7 N1 -2.9443 -0.0819 -0.0623 N.am 1 UNK -0.2211 8 N2 -0.1443 -0.9377 0.8149 N.4 1 UNK 0.2459 9 C -3.9688 0.4266 -0.9837 C.3 1 UNK 0.0816 10 C1 -1.3018 -1.8191 0.7072 C.3 1 UNK 0.0572 11 C2 -2.9189 2.0879 0.9372 C.3 1 UNK 0.0170 12 C3 -3.2611 0.0856 2.2932 C.3 1 UNK 0.0172 13 C4 -5.0024 1.3254 -0.3111 C.3 1 UNK -0.0264 14 C5 -1.9923 -2.1386 2.0377 C.3 1 UNK 0.0002 15 C6 -4.3799 2.3827 0.6022 C.3 1 UNK -0.0365 16 C7 -2.3320 -0.9461 2.9309 C.3 1 UNK -0.0330 17 C8 -2.2603 -1.2644 -0.3397 C.2 1 UNK 0.2780 18 C9 0.8031 -1.2009 -0.2562 C.3 1 UNK 0.0771 19 C10 -3.2696 1.1311 -2.1122 C.2 1 UNK 0.0636 20 C11 1.7511 -0.0121 -0.4815 C.3 1 UNK 0.0048 21 C12 2.6300 0.3624 0.7202 C.3 1 UNK -0.0220 22 C13 1.6084 -2.4285 0.1362 C.2 1 UNK 0.3560 23 C14 3.5897 1.4920 0.4432 C.ar 1 UNK -0.0471 24 C15 4.8668 1.2180 -0.0466 C.ar 1 UNK -0.0586 25 C16 3.2004 2.8111 0.6763 C.ar 1 UNK -0.0586 26 C17 3.2798 -3.9031 -0.6639 C.3 1 UNK 0.0899 27 C18 5.7545 2.2628 -0.3030 C.ar 1 UNK -0.0615 28 C19 4.0883 3.8560 0.4197 C.ar 1 UNK -0.0615 29 C20 4.1534 -4.1265 -1.8798 C.3 1 UNK -0.0306 30 C21 5.3653 3.5818 -0.0700 C.ar 1 UNK -0.0617 31 H 0.3135 -1.0943 1.7129 H 1 UNK 0.2030 32 H1 -0.4605 0.0294 0.7429 H 1 UNK 0.2030 33 H2 -4.5347 -0.4028 -1.3535 H 1 UNK 0.0577 34 H3 -0.9421 -2.7745 0.3866 H 1 UNK 0.0950 35 H4 -2.3068 2.4664 0.1454 H 1 UNK 0.0443 36 H5 -2.7089 2.5609 1.8737 H 1 UNK 0.0443 37 H6 -4.1790 -0.3890 2.0156 H 1 UNK 0.0443 38 H7 -3.4529 0.8666 2.9990 H 1 UNK 0.0443 39 H8 -5.6559 0.7129 0.2743 H 1 UNK 0.0288 40 H9 -5.5250 1.8443 -1.0873 H 1 UNK 0.0288 41 H10 -1.3464 -2.7870 2.5921 H 1 UNK 0.0325 42 H11 -2.9339 -2.5720 1.7722 H 1 UNK 0.0325 43 H12 -4.4336 3.3324 0.1122 H 1 UNK 0.0279 44 H13 -4.9286 2.3790 1.5208 H 1 UNK 0.0279 45 H14 -2.8039 -1.3170 3.8167 H 1 UNK 0.0280 46 H15 -1.4086 -0.4416 3.1253 H 1 UNK 0.0280 47 H16 0.2697 -1.3589 -1.1702 H 1 UNK 0.0969 48 H17 1.1572 0.8409 -0.7354 H 1 UNK 0.0329 49 H18 2.4234 -0.3125 -1.2578 H 1 UNK 0.0329 50 H19 3.1965 -0.4993 1.0055 H 1 UNK 0.0315 51 H20 1.9723 0.6951 1.4959 H 1 UNK 0.0315 52 H21 5.1548 0.2422 -0.2193 H 1 UNK 0.0620 53 H22 2.2556 3.0140 1.0386 H 1 UNK 0.0620 54 H23 2.6616 -4.7616 -0.5038 H 1 UNK 0.0694 55 H24 3.8937 -3.7465 0.1984 H 1 UNK 0.0694 56 H25 6.6993 2.0599 -0.6651 H 1 UNK 0.0618 57 H26 3.8004 4.8319 0.5922 H 1 UNK 0.0618 58 H27 3.5354 -4.2825 -2.7392 H 1 UNK 0.0262 59 H28 4.7699 -4.9869 -1.7228 H 1 UNK 0.0262 60 H29 4.7725 -3.2680 -2.0368 H 1 UNK 0.0262 61 H30 6.0221 4.3548 -0.2599 H 1 UNK 0.0618 @BOND 1 1 17 2 2 2 19 ar 3 3 19 ar 4 4 22 1 5 4 26 1 6 5 22 2 7 6 7 1 8 6 11 1 9 6 12 1 10 7 9 1 11 7 17 am 12 8 10 1 13 8 18 1 14 9 13 1 15 9 19 1 16 10 14 1 17 10 17 1 18 11 15 1 19 12 16 1 20 13 15 1 21 14 16 1 22 18 20 1 23 18 22 1 24 20 21 1 25 21 23 1 26 23 24 ar 27 23 25 ar 28 24 27 ar 29 25 28 ar 30 26 29 1 31 27 30 ar 32 28 30 ar 33 8 31 1 34 8 32 1 35 9 33 1 36 10 34 1 37 11 35 1 38 11 36 1 39 12 37 1 40 12 38 1 41 13 39 1 42 13 40 1 43 14 41 1 44 14 42 1 45 15 43 1 46 15 44 1 47 16 45 1 48 16 46 1 49 18 47 1 50 20 48 1 51 20 49 1 52 21 50 1 53 21 51 1 54 24 52 1 55 25 53 1 56 26 54 1 57 26 55 1 58 27 56 1 59 28 57 1 60 29 58 1 61 29 59 1 62 29 60 1 63 30 61 1