MMs03152017 MOE2007 2D CORINA 3.40 0006 02.08.2006 61 65 0 0 1 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8714 -1.2209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3644 -1.0768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2358 -2.2977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6141 -3.6628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1210 -3.8070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2497 -2.5861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4855 -4.8838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0099 -6.3064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2159 -7.1983 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.0568 -7.5089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4368 -6.3270 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9854 -4.8965 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.8594 -6.8026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1589 -8.2724 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.9826 -5.8083 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -9.4052 -6.2839 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -9.0947 -5.1248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8567 -7.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3566 -7.7271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2280 -8.9480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.8322 -6.3045 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.6262 -5.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6389 -3.9126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.2627 -5.8531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3688 -6.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7993 -6.4147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1236 -4.9502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0174 -3.9371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5869 -4.3885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.5540 -4.4988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.6602 -5.5119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2032 -8.6983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8978 -9.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8851 -10.9372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1778 -11.6982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4831 -10.9592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4958 -9.4593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1651 -13.1981 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.9768 -0.6971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6971 0.9768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9768 0.6971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8618 0.0153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4302 -2.1824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6237 -4.8991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9448 -2.7014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8655 -6.6675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6990 -3.9317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2970 -8.6528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6808 -7.9539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9720 -8.9088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1094 -8.0378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6842 -7.2252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2768 -2.7655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7020 -3.5781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8637 -8.8285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8409 -11.5284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5172 -11.5680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5401 -8.8681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.8783 -3.0343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -19.0227 -2.6731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 40 1 0 0 0 0 1 41 1 0 0 0 0 1 42 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 43 1 0 0 0 0 4 5 1 0 0 0 0 4 44 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 45 1 0 0 0 0 7 46 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 47 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 33 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 13 48 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 49 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 23 1 0 0 0 0 19 20 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 25 1 0 0 0 0 23 24 2 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 52 1 0 0 0 0 27 28 1 0 0 0 0 27 53 1 0 0 0 0 28 29 2 0 0 0 0 28 31 1 0 0 0 0 29 30 1 0 0 0 0 29 54 1 0 0 0 0 30 55 1 0 0 0 0 31 32 2 0 0 0 0 31 60 1 0 0 0 0 33 34 1 0 0 0 0 33 38 2 0 0 0 0 34 35 2 0 0 0 0 34 56 1 0 0 0 0 35 36 1 0 0 0 0 35 57 1 0 0 0 0 36 37 2 0 0 0 0 36 39 1 0 0 0 0 37 38 1 0 0 0 0 37 58 1 0 0 0 0 38 59 1 0 0 0 0 60 61 1 0 0 0 0 M END