BQR45E -OEChem-04012116132D 36 39 0 0 0 0 0 0 0999 V2000 6.3551 0.2395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5253 -2.1930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8208 -0.6106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 2.8238 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 1.2144 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7564 1.0486 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9643 0.0704 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 2.0191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 2.0191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.5191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.5191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 1.1531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.0191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9938 -1.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0983 -0.4296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8028 -2.0119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.5191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0802 -1.8308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6982 -3.0064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9757 -2.8254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7847 -3.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7163 -1.6052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8445 2.2312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1542 2.6297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 3.4132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.6391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.3991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.8291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.2091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5786 -1.4664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1998 -3.3708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4093 -3.0776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7199 -4.0298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0917 -1.9408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 16 1 0 0 0 0 2 24 1 0 0 0 0 2 36 1 0 0 0 0 3 24 2 0 0 0 0 4 8 1 0 0 0 0 4 10 1 0 0 0 0 4 27 1 0 0 0 0 5 8 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 12 2 0 0 0 0 7 16 2 0 0 0 0 8 9 1 0 0 0 0 9 12 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 10 13 2 0 0 0 0 11 15 2 0 0 0 0 13 18 1 0 0 0 0 13 28 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 14 20 2 0 0 0 0 15 19 1 0 0 0 0 15 29 1 0 0 0 0 17 21 2 0 0 0 0 17 24 1 0 0 0 0 18 19 2 0 0 0 0 18 30 1 0 0 0 0 19 31 1 0 0 0 0 20 22 1 0 0 0 0 20 32 1 0 0 0 0 21 23 1 0 0 0 0 21 33 1 0 0 0 0 22 23 2 0 0 0 0 22 34 1 0 0 0 0 23 35 1 0 0 0 0 M END $$$$