B4NG8J -OEChem-04012115162D 49 53 0 1 0 0 0 0 0999 V2000 7.7583 -3.4085 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.7364 -2.9904 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.5772 -1.6859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8084 0.8456 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.9730 -0.5633 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0047 3.3282 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0047 3.3282 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6803 2.1449 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3962 0.0366 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3907 0.1412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9785 -0.6679 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9895 -0.8769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5718 -1.5814 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8143 0.8448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1164 1.7908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5047 1.7894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3137 2.3772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1596 -2.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6957 2.3772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7528 -3.3040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1541 -2.2859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3197 4.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9773 2.9136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2992 3.9043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7419 -3.0949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3406 -4.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3351 -4.0085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.7020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6484 0.6030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9480 0.4129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2198 0.7371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3429 -1.1695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4755 -0.5302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5588 -1.3229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3196 -2.1478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2082 0.7147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8800 0.2283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6825 1.5378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4275 2.3271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2252 0.0031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3375 -1.0649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4063 -1.7195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5181 4.7004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8861 4.3666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0884 -4.6794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6996 -4.5100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8688 3.3079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3940 2.5707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1312 2.0960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 25 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 9 4 1 6 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 11 5 1 6 0 0 0 5 40 1 0 0 0 0 5 41 1 0 0 0 0 6 7 1 0 0 0 0 6 19 1 0 0 0 0 6 22 1 0 0 0 0 7 17 2 0 0 0 0 8 19 1 0 0 0 0 8 23 2 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 13 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 18 1 1 0 0 0 13 35 1 0 0 0 0 14 16 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 17 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 19 2 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 20 26 1 0 0 0 0 21 25 2 0 0 0 0 21 42 1 0 0 0 0 22 24 2 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 28 1 0 0 0 0 24 44 1 0 0 0 0 25 27 1 0 0 0 0 26 27 2 0 0 0 0 26 45 1 0 0 0 0 27 46 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 M END $$$$