B5NL0A -OEChem-04022109082D 43 45 0 1 0 0 0 0 0999 V2000 2.9898 -1.3976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7111 -1.8588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1822 0.2116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0725 -0.1952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8046 -0.1952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5366 -0.1952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6706 1.3048 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1590 0.2116 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9511 1.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4898 -0.5316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.4987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 1.8588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9680 -1.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9385 0.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9385 1.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4026 0.3048 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.6706 0.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8046 1.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2687 -0.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4026 1.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3732 -1.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3513 -1.3976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8513 -0.5316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6408 0.6017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8222 1.7962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0750 -0.0708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9882 -0.8960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1916 2.0884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4103 1.6903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8084 0.9091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1091 1.3981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1550 2.2737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2793 2.3196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4016 1.6148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8657 0.6148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5366 -0.8152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8046 2.4248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0226 1.3048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4026 1.9248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7826 1.3048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9124 -1.6046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6035 -1.9640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4679 -0.4668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 13 1 0 0 0 0 2 13 2 0 0 0 0 3 19 1 0 0 0 0 3 23 1 0 0 0 0 4 8 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 14 2 0 0 0 0 5 17 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 6 36 1 0 0 0 0 7 17 2 0 0 0 0 7 18 1 0 0 0 0 8 9 1 6 0 0 0 8 10 1 0 0 0 0 8 24 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 25 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 14 15 1 0 0 0 0 15 18 2 0 0 0 0 15 34 1 0 0 0 0 16 19 1 0 0 0 0 16 20 1 0 0 0 0 16 35 1 0 0 0 0 18 37 1 0 0 0 0 19 21 2 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 22 23 2 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 M END $$$$