ACD/Labs0226102007 64 64 0 0 0 0 0 0 0 0 13 V2000 21.2724 -7.4855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4704 -7.9486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4704 -8.8745 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.2724 -9.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0743 -8.8745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0743 -7.9486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8763 -7.4855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8748 -6.5605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6764 -7.9476 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.4784 -7.4830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2799 -7.9441 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 24.4754 -6.5571 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 25.2774 -6.0941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0793 -6.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7673 -5.9375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 26.3907 -5.0917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 25.4698 -5.1884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0793 -7.4831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8155 -4.5335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.6167 -6.1246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0153 -4.1216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.8726 -5.7765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.0736 -6.5016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1441 -5.5880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.5460 -7.0381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8176 -6.8497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1241 -6.7603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3719 -7.1945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3719 -8.0630 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1241 -8.4972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8762 -8.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8762 -7.1945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6284 -6.7603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6270 -5.8927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3788 -7.1936 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 15.3554 -6.8411 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.1027 -6.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8500 -6.8411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4911 -6.2638 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.1402 -5.4755 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.2821 -5.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8500 -7.7039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6723 -4.9553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2826 -6.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7222 -4.5716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4528 -6.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6402 -6.7893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7740 -5.9380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1485 -7.2893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4699 -7.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0014 -7.3888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3785 -8.9894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5535 -7.6035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8652 -8.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8652 -8.7957 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5535 -9.1931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2419 -8.7957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2419 -8.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9302 -7.6035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9290 -6.8095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6170 -8.0001 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3055 -7.6013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9935 -7.9971 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.0939 -8.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 6 7 1 0 0 0 0 7 9 1 0 0 0 0 7 8 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 13 1 0 0 0 0 14 18 1 0 0 0 0 17 19 2 0 0 0 0 15 20 1 0 0 0 0 21 16 1 0 0 0 0 23 22 1 0 0 0 0 24 22 2 0 0 0 0 25 23 2 0 0 0 0 20 24 1 0 0 0 0 26 25 1 0 0 0 0 26 20 2 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 27 1 0 0 0 0 32 33 1 0 0 0 0 33 35 1 0 0 0 0 33 34 2 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 37 1 0 0 0 0 38 42 1 0 0 0 0 41 43 2 0 0 0 0 39 44 1 0 0 0 0 45 40 1 0 0 0 0 47 46 1 0 0 0 0 48 46 2 0 0 0 0 49 47 2 0 0 0 0 44 48 1 0 0 0 0 50 49 1 0 0 0 0 50 44 2 0 0 0 0 53 54 2 0 0 0 0 54 55 1 0 0 0 0 55 56 2 0 0 0 0 56 57 1 0 0 0 0 57 58 2 0 0 0 0 58 53 1 0 0 0 0 58 59 1 0 0 0 0 59 61 1 0 0 0 0 59 60 2 0 0 0 0 61 62 2 0 0 0 0 62 63 2 0 0 0 0 A 51 KSCN A 52 reflux A 64 Acetonitrile M STY 1 1 GEN M SLB 1 1 1 M SCN 1 1 HT M SAL 1 11 53 54 55 56 57 58 59 60 61 62 63 M SDI 1 4 14.2121 -5.9052 14.2121 -9.5402 M SDI 1 4 9.1571 -9.5506 9.1571 -5.9156 M END