B4GW9I -OEChem-04012113312D 70 73 0 0 0 0 0 0 0999 V2000 2.8660 1.7154 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -3.7846 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2154 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 14.9904 -5.2846 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 1.2154 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 15.8564 -4.7846 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.3660 0.8493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 2.5814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8564 -3.7846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8564 -3.7846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.7154 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 0.2154 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.7154 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -0.7846 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.2154 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -1.2846 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 -2.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.7154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 -1.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -2.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -0.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -1.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.7154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -2.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8220 3.7222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6164 -2.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6141 4.7569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6164 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8140 4.7638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5224 -2.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7161 5.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5224 -1.2638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.7154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.7154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -0.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.7154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 0.7154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.7154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -1.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 0.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4534 -2.5946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2887 3.4060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6092 -3.4392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1546 5.0606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6092 -0.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2759 5.0717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0582 -2.6175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7185 5.9046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0582 -0.9517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.3354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.4054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3195 0.5254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 0.5254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.4046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1233 -1.0946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 2.0254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 1.3354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 0.4054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -1.9046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.8354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 0.5254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 7 2 0 0 0 0 1 8 2 0 0 0 0 1 21 1 0 0 0 0 2 6 1 0 0 0 0 2 9 2 0 0 0 0 2 10 2 0 0 0 0 2 22 1 0 0 0 0 11 23 1 0 0 0 0 11 59 1 0 0 0 0 11 60 1 0 0 0 0 12 24 1 0 0 0 0 12 61 1 0 0 0 0 12 62 1 0 0 0 0 13 15 2 0 0 0 0 13 25 1 0 0 0 0 14 16 2 0 0 0 0 14 26 1 0 0 0 0 15 39 1 0 0 0 0 16 40 1 0 0 0 0 17 19 1 0 0 0 0 17 21 1 0 0 0 0 17 29 2 0 0 0 0 18 20 1 0 0 0 0 18 22 1 0 0 0 0 18 30 2 0 0 0 0 19 23 1 0 0 0 0 19 31 2 0 0 0 0 20 24 1 0 0 0 0 20 32 2 0 0 0 0 21 27 2 0 0 0 0 22 28 2 0 0 0 0 23 25 2 0 0 0 0 24 26 2 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 27 49 1 0 0 0 0 28 50 1 0 0 0 0 29 33 1 0 0 0 0 29 51 1 0 0 0 0 30 34 1 0 0 0 0 30 52 1 0 0 0 0 31 35 1 0 0 0 0 31 53 1 0 0 0 0 32 36 1 0 0 0 0 32 54 1 0 0 0 0 33 35 2 0 0 0 0 33 55 1 0 0 0 0 34 36 2 0 0 0 0 34 56 1 0 0 0 0 35 57 1 0 0 0 0 36 58 1 0 0 0 0 37 38 1 0 0 0 0 37 41 2 0 0 0 0 37 43 1 0 0 0 0 38 42 2 0 0 0 0 38 44 1 0 0 0 0 39 45 2 0 0 0 0 39 47 1 0 0 0 0 40 46 2 0 0 0 0 40 48 1 0 0 0 0 41 45 1 0 0 0 0 41 63 1 0 0 0 0 42 46 1 0 0 0 0 42 64 1 0 0 0 0 43 47 2 0 0 0 0 43 65 1 0 0 0 0 44 48 2 0 0 0 0 44 66 1 0 0 0 0 45 67 1 0 0 0 0 46 68 1 0 0 0 0 47 69 1 0 0 0 0 48 70 1 0 0 0 0 M CHG 4 3 1 4 1 5 -1 6 -1 M END $$$$