B5WU7L -OEChem-04012114073D 63 68 0 1 0 0 0 0 0999 V2000 -1.0171 -1.8253 1.4035 S 0 0 0 0 0 0 0 0 0 0 0 0 9.2920 0.6159 0.4455 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8786 -1.7129 0.2365 N 0 0 2 0 0 0 0 0 0 0 0 0 8.3223 2.4538 -0.4575 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5832 -1.3067 0.6492 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1002 -0.8367 -0.8895 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3529 -0.5344 -1.3850 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.3782 1.7490 0.0816 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0839 -2.2366 0.8988 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9724 -0.2808 -0.0894 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3043 -2.3217 -0.0242 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9679 0.0299 -1.2122 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0381 -1.0093 -0.1683 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3985 0.1146 -0.7365 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7095 -1.9445 1.0936 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3766 -0.9330 0.2649 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0914 1.3372 -0.8804 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4387 -1.5446 0.3542 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0100 0.2922 0.1044 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4213 1.4168 -0.4464 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3998 1.9234 0.0779 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2895 -1.2850 0.3042 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2280 -0.8230 -0.4485 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7024 2.5582 0.3307 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6590 -0.6634 -0.5421 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3186 0.5218 -0.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1919 -1.7368 1.8879 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7208 0.6286 -0.2731 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3935 -1.7436 -1.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6098 1.6249 0.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4245 -0.4675 -0.7646 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7750 -1.6454 -1.1421 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2844 2.7806 0.6983 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6570 2.7911 0.5548 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4239 4.0131 0.9355 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8761 -3.2673 1.2162 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3175 -1.6684 1.8092 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1883 0.3179 0.8057 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0386 0.0990 -0.5032 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0279 -2.7011 -1.0163 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9885 -3.0722 0.3936 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6834 0.9910 -1.6616 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8920 -0.7030 -2.0258 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8038 -1.3887 2.0363 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6460 -3.0115 1.3441 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8920 -1.7801 0.7028 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6089 2.2062 -1.3174 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3364 -2.1176 -0.5741 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3877 -0.4809 0.1235 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9401 2.5360 1.3984 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4960 2.0368 -0.2127 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6951 3.6025 0.0045 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2761 -1.6192 1.8565 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9494 -2.7916 2.0427 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7895 -1.1256 2.7001 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9039 -2.6677 -1.3291 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5287 1.6153 0.4431 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5075 -0.4158 -0.8612 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3516 -2.4837 -1.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7422 3.6380 1.0817 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4968 3.8727 0.7677 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2754 4.2409 1.9959 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0981 4.8693 0.3364 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 22 1 0 0 0 0 2 19 1 0 0 0 0 2 21 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 3 15 1 0 0 0 0 4 20 1 0 0 0 0 4 21 2 0 0 0 0 5 22 1 0 0 0 0 5 23 1 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 22 2 0 0 0 0 7 23 2 0 0 0 0 8 28 1 0 0 0 0 8 34 2 0 0 0 0 9 11 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 12 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 13 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 14 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 14 1 0 0 0 0 13 16 2 0 0 0 0 14 17 2 0 0 0 0 15 18 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 19 1 0 0 0 0 16 46 1 0 0 0 0 17 20 1 0 0 0 0 17 47 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 20 2 0 0 0 0 21 24 1 0 0 0 0 23 25 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 25 26 2 0 0 0 0 25 29 1 0 0 0 0 26 28 1 0 0 0 0 26 30 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 28 31 2 0 0 0 0 29 32 2 0 0 0 0 29 56 1 0 0 0 0 30 33 2 0 0 0 0 30 57 1 0 0 0 0 31 32 1 0 0 0 0 31 58 1 0 0 0 0 32 59 1 0 0 0 0 33 34 1 0 0 0 0 33 60 1 0 0 0 0 34 35 1 0 0 0 0 35 61 1 0 0 0 0 35 62 1 0 0 0 0 35 63 1 0 0 0 0 M END $$$$