D0DP3V -OEChem-10101305022D 96 98 0 1 0 0 0 0 0999 V2000 6.4617 6.2602 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.1988 7.6310 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.6859 -2.9201 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 16.4356 -2.0777 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 15.1504 -0.9165 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 17.4389 -4.9985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7887 -3.9148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7849 -6.0903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7430 -3.0293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5831 -1.9254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6806 -2.8173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1282 -1.1261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1726 -0.7069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6912 -3.0229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4840 -2.3851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2393 -0.0781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3872 -1.7703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3600 0.0613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9408 -1.8943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2727 2.3575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7024 4.6798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8135 5.7279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6062 9.7438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2432 8.0502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7147 -6.7590 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.7147 -8.3685 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.9024 -6.5638 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.0364 -8.0638 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.9024 -9.5638 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6245 1.8251 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0542 4.1475 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.9786 -4.5012 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9769 -5.5012 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.0281 -4.1905 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0253 -5.8085 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.7207 -3.2389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7684 -7.0638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2983 -7.5638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7684 -8.0638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8875 0.4543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9097 0.6639 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.8653 0.2447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9024 -8.5638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0971 1.4321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6779 -0.5235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0364 -7.0638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6023 1.6155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3172 2.7767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3394 2.9863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0320 3.9379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7469 5.0990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7691 5.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4839 6.4698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1765 7.4214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8914 8.5826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9136 8.7922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5306 -4.7836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8789 -6.1134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4159 -4.0925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4128 -5.9045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3349 -3.1537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7435 -2.6193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3517 -5.8392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9183 -7.5638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3035 0.7938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4794 0.3299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8880 0.8643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0717 -0.3936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5479 -1.1297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2841 -0.6535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7033 1.3021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2270 2.0383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4909 1.5620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0441 -3.3195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0853 -1.5618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4994 -6.7538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3540 -2.9913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3655 -9.8738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4393 -9.8738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6331 0.0518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2089 1.3650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9313 2.8619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3399 3.3962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9500 0.2518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7253 2.9010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3167 2.3667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6386 3.6874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3610 5.1843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7696 5.7186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1550 5.2234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7464 4.6891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7907 7.5067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1992 8.0410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5055 8.6679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9141 9.2022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 9.8738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 52 1 0 0 0 0 1 53 1 0 0 0 0 2 54 1 0 0 0 0 2 55 1 0 0 0 0 3 7 1 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 3 14 2 0 0 0 0 4 9 1 0 0 0 0 4 12 1 0 0 0 0 4 15 1 0 0 0 0 4 17 2 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 5 18 1 0 0 0 0 5 19 2 0 0 0 0 6 34 1 0 0 0 0 6 35 1 0 0 0 0 32 7 1 1 0 0 0 33 8 1 1 0 0 0 8 63 1 0 0 0 0 9 36 1 0 0 0 0 10 75 1 0 0 0 0 11 74 1 0 0 0 0 13 42 1 0 0 0 0 15 77 1 0 0 0 0 41 16 1 1 0 0 0 16 80 1 0 0 0 0 18 84 1 0 0 0 0 20 47 2 0 0 0 0 21 50 2 0 0 0 0 22 53 2 0 0 0 0 23 56 1 0 0 0 0 23 96 1 0 0 0 0 24 56 2 0 0 0 0 35 25 1 6 0 0 0 25 37 1 0 0 0 0 25 38 1 0 0 0 0 26 38 2 0 0 0 0 26 39 1 0 0 0 0 27 37 1 0 0 0 0 27 46 2 0 0 0 0 28 43 2 0 0 0 0 28 46 1 0 0 0 0 29 43 1 0 0 0 0 29 78 1 0 0 0 0 29 79 1 0 0 0 0 30 47 1 0 0 0 0 30 48 1 0 0 0 0 30 81 1 0 0 0 0 31 50 1 0 0 0 0 31 51 1 0 0 0 0 31 87 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 32 57 1 0 0 0 0 33 35 1 0 0 0 0 33 58 1 0 0 0 0 34 36 1 6 0 0 0 34 59 1 0 0 0 0 35 60 1 0 0 0 0 36 61 1 0 0 0 0 36 62 1 0 0 0 0 37 39 2 0 0 0 0 38 64 1 0 0 0 0 39 43 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 40 44 1 0 0 0 0 40 45 1 0 0 0 0 41 47 1 0 0 0 0 41 65 1 0 0 0 0 42 66 1 0 0 0 0 42 67 1 0 0 0 0 44 71 1 0 0 0 0 44 72 1 0 0 0 0 44 73 1 0 0 0 0 45 68 1 0 0 0 0 45 69 1 0 0 0 0 45 70 1 0 0 0 0 46 76 1 0 0 0 0 48 49 1 0 0 0 0 48 82 1 0 0 0 0 48 83 1 0 0 0 0 49 50 1 0 0 0 0 49 85 1 0 0 0 0 49 86 1 0 0 0 0 51 52 1 0 0 0 0 51 88 1 0 0 0 0 51 89 1 0 0 0 0 52 90 1 0 0 0 0 52 91 1 0 0 0 0 53 54 1 0 0 0 0 54 92 1 0 0 0 0 54 93 1 0 0 0 0 55 56 1 0 0 0 0 55 94 1 0 0 0 0 55 95 1 0 0 0 0 M END $$$$