BE7B1K -OEChem-04022109033D 35 36 0 0 0 0 0 0 0999 V2000 -2.2349 -1.8381 -0.0548 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.2396 -1.4359 -0.1154 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8765 -1.2880 0.0078 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8591 -1.2607 0.0850 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2810 0.9374 0.0939 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1927 0.9608 -0.0205 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3690 0.4777 -0.1071 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7809 0.8681 -0.0419 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2097 -0.4518 -0.0567 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9999 0.7011 -0.0871 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1929 -0.3891 -0.0335 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5411 0.4261 0.0252 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0348 2.0302 -0.0719 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3612 1.9603 -0.0948 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1092 -0.0825 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5331 -0.7299 0.0581 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6040 -0.8137 -0.0933 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9613 -0.2441 0.0773 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1840 0.1098 -0.1549 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6499 -0.1822 -0.1784 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5103 0.2444 0.7532 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7276 -1.3252 -0.0094 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7023 1.0428 -0.8672 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6729 1.0682 0.9043 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5134 3.0060 -0.0783 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5654 1.9079 -0.0256 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9495 2.8733 -0.1184 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4028 -1.3629 -0.8272 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3715 -1.3407 0.9537 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9202 0.7200 0.7161 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9238 0.6734 -1.0572 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0409 -0.7515 -1.0187 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7834 -0.9328 0.1023 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5665 0.0113 0.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1811 0.8278 1.6058 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 17 1 0 0 0 0 2 17 1 0 0 0 0 2 19 1 0 0 0 0 3 15 2 0 0 0 0 4 18 1 0 0 0 0 4 33 1 0 0 0 0 5 18 2 0 0 0 0 6 8 1 0 0 0 0 6 15 1 0 0 0 0 6 26 1 0 0 0 0 7 10 1 0 0 0 0 7 17 2 0 0 0 0 8 11 2 0 0 0 0 8 13 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 10 14 1 0 0 0 0 11 22 1 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 13 14 2 0 0 0 0 13 25 1 0 0 0 0 14 27 1 0 0 0 0 16 18 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 19 20 1 0 0 0 0 19 30 1 0 0 0 0 19 31 1 0 0 0 0 20 21 2 0 0 0 0 20 32 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 M END $$$$