B4PDR6 -OEChem-04012114472D 40 42 0 1 0 0 0 0 0999 V2000 8.6694 -2.1541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.8802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.3802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2682 -3.1721 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 -1.6586 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 -1.6586 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7891 -0.7076 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.3802 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6859 -2.4676 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2791 -3.3812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6804 -2.3631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8669 -4.1902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8614 -4.0857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2627 -3.0676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4071 -0.7076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.1198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8505 -3.8766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.3802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.3802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.3802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0693 -2.5325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7651 -3.0345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8484 -3.8272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2376 -2.0913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5095 -1.7671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3097 -4.4620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0378 -4.7862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8182 -4.7042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4630 -4.2357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9967 -0.5160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3489 -4.2411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2149 -4.3782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3521 -3.5122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 1.0702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.6902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.5002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 4.1902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 23 1 0 0 0 0 2 40 1 0 0 0 0 3 23 2 0 0 0 0 4 11 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 15 1 0 0 0 0 6 7 2 0 0 0 0 7 16 1 0 0 0 0 8 18 2 0 0 0 0 8 21 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 24 1 0 0 0 0 10 12 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 13 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 15 33 1 0 0 0 0 16 18 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 37 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 21 22 2 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 M END $$$$