B96BQZ -OEChem-04042104193D 47 48 0 0 0 0 0 0 0999 V2000 -5.9366 -0.2497 -1.1035 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.5139 1.0684 -0.8904 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9259 -0.8326 -2.4356 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3151 -1.0913 -1.0386 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2615 0.7107 1.3103 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8564 2.7446 0.4675 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.4125 1.3164 2.0391 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0898 -1.6318 0.3542 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4184 -1.5393 0.7665 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7550 1.6223 1.0167 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.2873 -0.2420 -0.5122 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1355 -1.4070 -0.6362 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8635 0.6633 0.4606 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6447 -0.2893 0.3805 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7708 -1.7296 1.2068 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5422 0.6396 0.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6643 -0.0028 -0.5863 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3898 -1.1712 -1.0387 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7327 -1.4513 0.0653 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0686 -1.1948 -0.5924 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2373 -0.3152 0.8552 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5597 -2.0589 1.6699 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7841 -1.3724 -0.0175 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0755 0.9930 -1.3656 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7445 0.3061 0.2403 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5670 2.2976 -1.3185 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2359 1.6107 0.2877 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6471 2.6064 -0.4919 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7230 -1.6015 -1.6342 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9410 -2.1382 -0.4968 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8535 -2.7752 1.5165 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9798 -1.0580 2.0448 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2171 1.3446 1.6694 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6942 -1.8886 -1.7956 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3957 -1.9137 -1.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0697 -2.3618 0.4291 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2533 -2.8963 1.5442 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 -2.3844 2.3453 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0848 -1.2238 2.1419 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7314 -0.9958 1.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3189 -2.3572 -0.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8266 -1.4301 -0.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2349 0.7674 -2.0159 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2147 -0.4606 0.8503 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1089 3.0729 -1.9257 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0774 1.8512 0.9308 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0300 3.6221 -0.4552 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 11 1 0 0 0 0 1 23 1 0 0 0 0 4 19 2 0 0 0 0 5 21 2 0 0 0 0 6 10 1 0 0 0 0 7 10 2 0 0 0 0 8 12 1 0 0 0 0 8 19 1 0 0 0 0 8 22 1 0 0 0 0 9 15 1 0 0 0 0 9 21 1 0 0 0 0 9 36 1 0 0 0 0 10 13 1 0 0 0 0 11 13 2 0 0 0 0 11 18 1 0 0 0 0 12 17 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 16 1 0 0 0 0 14 16 2 0 0 0 0 14 20 1 0 0 0 0 14 21 1 0 0 0 0 15 19 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 17 24 2 0 0 0 0 17 25 1 0 0 0 0 18 20 2 0 0 0 0 18 34 1 0 0 0 0 20 35 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 24 26 1 0 0 0 0 24 43 1 0 0 0 0 25 27 2 0 0 0 0 25 44 1 0 0 0 0 26 28 2 0 0 0 0 26 45 1 0 0 0 0 27 28 1 0 0 0 0 27 46 1 0 0 0 0 28 47 1 0 0 0 0 M CHG 2 6 -1 10 1 M END $$$$