B0HP5J -OEChem-04042106003D 39 42 0 0 0 0 0 0 0999 V2000 -4.1300 1.8747 0.8355 S 0 0 0 0 0 0 0 0 0 0 0 0 4.3243 -2.1557 0.3206 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9424 1.1875 -0.4316 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2396 0.3743 -0.0909 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9271 0.0559 0.0019 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2905 1.8673 0.0172 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6853 1.6004 0.2203 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9968 1.0917 -0.0893 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6406 0.8315 0.1085 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1378 3.1638 -0.2723 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5237 0.4030 0.1923 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4378 -0.6966 0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4231 2.3880 -0.3787 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4937 3.4240 -0.4701 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5529 2.5410 0.7347 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9483 -1.9980 -0.1107 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8104 -0.4591 -0.0706 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3000 0.1761 -0.1718 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0583 -1.0894 0.0152 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8314 -3.0619 -0.2958 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6935 -1.5230 -0.2556 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2038 -2.8244 -0.3682 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3697 -1.3143 -0.0786 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5029 -2.6954 0.2001 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2306 -3.1617 0.4362 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3188 -0.1825 0.3385 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5571 3.9939 -0.3696 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4473 2.6840 -0.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8242 4.4331 -0.6994 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3674 3.5541 1.0638 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5540 -0.8654 0.2199 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8830 -2.2088 -0.0544 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2545 0.5301 -0.0177 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4505 -4.0752 -0.3832 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7621 -1.3386 -0.3184 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8913 -3.6524 -0.5137 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1578 -0.6134 -0.3124 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4123 -3.2782 0.2256 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8238 -4.1309 0.6856 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 15 1 0 0 0 0 2 19 1 0 0 0 0 2 25 1 0 0 0 0 3 18 2 0 0 0 0 4 7 1 0 0 0 0 4 11 2 0 0 0 0 5 8 1 0 0 0 0 5 18 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 9 2 0 0 0 0 6 10 1 0 0 0 0 7 15 2 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 26 1 0 0 0 0 10 14 2 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 12 16 2 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 14 29 1 0 0 0 0 15 30 1 0 0 0 0 16 20 1 0 0 0 0 16 32 1 0 0 0 0 17 21 2 0 0 0 0 17 33 1 0 0 0 0 18 19 1 0 0 0 0 19 23 2 0 0 0 0 20 22 2 0 0 0 0 20 34 1 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 23 24 1 0 0 0 0 23 37 1 0 0 0 0 24 25 2 0 0 0 0 24 38 1 0 0 0 0 25 39 1 0 0 0 0 M END $$$$