D05JDR -OEChem-04152108382D 41 43 0 1 0 0 0 0 0999 V2000 2.8660 -0.2063 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.4434 0.2646 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4460 2.0064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.2937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6732 0.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.2937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6636 -3.3152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3357 -3.7669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2937 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4460 -0.4190 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8604 -1.2448 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6330 -1.0622 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2937 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7403 0.2896 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7403 1.2979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.7937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4124 -0.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.7937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1181 -0.8707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0846 -0.6139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8573 -1.8361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8908 -2.0929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4448 0.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7002 -0.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6300 -3.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9504 -0.5278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5013 -0.2825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2843 -1.0175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 0.4014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -0.2889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.6037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2948 -2.2754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.9137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8381 -1.4752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2733 -2.0376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1082 0.8396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1157 -0.6730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7288 -1.6747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5019 -3.9137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 17 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 3 15 2 0 0 0 0 4 20 1 0 0 0 0 4 35 1 0 0 0 0 5 19 2 0 0 0 0 6 20 2 0 0 0 0 7 27 1 0 0 0 0 7 41 1 0 0 0 0 8 27 2 0 0 0 0 9 13 1 0 0 0 0 9 15 1 0 0 0 0 9 16 1 0 0 0 0 14 10 1 1 0 0 0 10 19 1 0 0 0 0 10 30 1 0 0 0 0 11 22 1 0 0 0 0 11 26 2 0 0 0 0 12 26 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 28 1 6 0 0 0 14 15 1 0 0 0 0 14 29 1 0 0 0 0 16 18 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 18 33 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 22 25 2 0 0 0 0 23 24 1 0 0 0 0 23 34 1 0 0 0 0 24 27 1 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 25 38 1 0 0 0 0 M END $$$$