Mrv1909 01232000172D 71 76 0 0 0 0 999 V2000 -4.4735 -2.2655 0.0000 Ca 0 2 0 0 0 0 0 0 0 0 0 0 2.0640 0.6546 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3325 1.0702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6235 0.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0988 1.0702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8169 0.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5258 1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2437 0.6682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2437 -0.1580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5258 -0.5643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8169 -0.1580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0988 -0.5643 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6235 -0.1580 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3325 -0.5643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0640 -0.1580 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7684 -0.5643 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4863 -0.1580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0372 -0.5372 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.4863 0.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7684 1.0702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7684 1.8107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2223 1.1153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2223 1.8603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9719 0.6773 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7684 -1.4088 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0775 -1.8784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5089 -1.8152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0640 -0.9121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6235 -0.8805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6905 -1.3139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3617 -1.4404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5258 -1.2597 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.5258 1.8784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0988 1.8378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3325 1.8514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0640 1.2508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1055 -4.5373 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3740 -4.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6650 -4.5373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0573 -4.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7754 -4.5373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4842 -4.1128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2022 -4.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2022 -5.3501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4842 -5.7564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7754 -5.3501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0573 -5.7564 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6650 -5.3501 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3740 -5.7564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1055 -5.3501 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8099 -5.7564 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5279 -5.3501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0787 -5.7293 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.5279 -4.5373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8099 -4.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8099 -3.3813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2639 -4.0767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2639 -3.3317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0134 -4.5147 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8099 -6.6008 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1190 -7.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5504 -7.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1055 -6.1041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6650 -6.0725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6489 -6.5060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4032 -6.6324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4842 -6.4518 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4842 -3.3136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0573 -3.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3740 -3.3407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1055 -3.9413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34 5 2 0 0 0 0 35 3 1 0 0 0 0 2 36 1 1 0 0 0 3 2 1 0 0 0 0 4 3 2 0 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 7 6 1 0 0 0 0 8 7 2 0 0 0 0 9 8 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 2 1 0 0 0 0 16 15 1 0 0 0 0 17 16 1 0 0 0 0 18 17 1 0 0 0 0 19 17 2 0 0 0 0 19 20 1 0 0 0 0 20 2 1 0 0 0 0 21 20 2 0 0 0 0 22 19 1 0 0 0 0 23 22 2 0 0 0 0 24 22 1 0 0 0 0 16 25 1 1 0 0 0 26 25 1 0 0 0 0 27 25 1 0 0 0 0 15 28 1 1 0 0 0 13 29 1 1 0 0 0 4 13 1 0 0 0 0 12 30 1 6 0 0 0 12 31 1 1 0 0 0 11 6 2 0 0 0 0 32 10 1 0 0 0 0 33 7 1 0 0 0 0 38 37 1 0 0 0 0 39 38 2 0 0 0 0 40 39 1 0 0 0 0 41 40 1 0 0 0 0 42 41 1 0 0 0 0 43 42 2 0 0 0 0 44 43 1 0 0 0 0 44 45 2 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 37 1 0 0 0 0 51 50 1 0 0 0 0 52 51 1 0 0 0 0 53 52 1 0 0 0 0 54 52 2 0 0 0 0 54 55 1 0 0 0 0 55 37 1 0 0 0 0 56 55 2 0 0 0 0 57 54 1 0 0 0 0 58 57 2 0 0 0 0 59 57 1 0 0 0 0 51 60 1 1 0 0 0 61 60 1 0 0 0 0 62 60 1 0 0 0 0 50 63 1 1 0 0 0 48 64 1 1 0 0 0 39 48 1 0 0 0 0 47 65 1 6 0 0 0 47 66 1 1 0 0 0 46 41 2 0 0 0 0 67 45 1 0 0 0 0 68 42 1 0 0 0 0 69 40 2 0 0 0 0 70 38 1 0 0 0 0 37 71 1 1 0 0 0 M CHG 3 1 2 18 -1 53 -1 M END