B1IZD9 -OEChem-04022107053D 50 53 0 0 0 0 0 0 0999 V2000 5.8203 1.9245 0.3163 S 0 0 0 0 0 0 0 0 0 0 0 0 5.6539 2.5500 1.6208 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0822 1.2808 -0.0214 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6175 0.5897 -0.7508 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9550 3.6458 0.6059 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7307 -1.6028 -0.0828 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6993 -2.8778 0.0621 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4386 -2.0052 -0.4470 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3195 -4.1392 0.3947 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5772 -3.9247 0.5919 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4474 3.0696 -0.8958 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0486 0.7829 -0.6198 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4988 3.5199 0.5156 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4968 1.9522 -1.5007 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4223 0.9872 0.8515 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0718 3.3137 -0.9426 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0103 2.3603 1.3917 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0121 -0.5759 -0.4726 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5171 -0.6387 -0.6272 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0919 -1.8021 -0.3509 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0851 -2.7697 0.1906 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4714 -1.0782 -0.2675 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4786 -4.7140 0.7004 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6703 -1.2259 -0.9652 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3022 -0.0067 0.6094 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5308 0.7693 0.0908 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6998 -0.3022 -0.7862 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3319 0.9172 0.7885 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5655 -0.1099 -0.9948 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0572 4.4530 0.8851 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5901 1.9296 -1.5928 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0974 1.8392 -2.5163 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9824 0.2103 1.4872 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5102 0.8819 0.9525 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9815 3.4138 -1.0108 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4866 4.1086 -1.5754 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3807 2.4742 2.4181 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9153 2.4033 1.4564 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0607 1.3965 -1.0184 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2640 4.4492 0.0604 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2238 3.8320 1.5712 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0037 0.2483 -0.9784 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7328 -2.9597 -0.6277 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5213 -5.7465 1.0132 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8129 -2.0557 -1.6527 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3951 0.1230 1.1931 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6224 -0.4330 -1.3445 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1790 1.7436 1.4769 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0900 3.9842 -0.5939 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0652 3.1146 -1.7154 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 11 1 0 0 0 0 1 26 1 0 0 0 0 4 12 1 0 0 0 0 4 18 1 0 0 0 0 4 39 1 0 0 0 0 5 13 1 0 0 0 0 5 40 1 0 0 0 0 5 41 1 0 0 0 0 6 18 2 0 0 0 0 6 21 1 0 0 0 0 7 9 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 20 1 0 0 0 0 8 22 1 0 0 0 0 8 43 1 0 0 0 0 9 23 2 0 0 0 0 10 21 2 0 0 0 0 10 23 1 0 0 0 0 11 49 1 0 0 0 0 11 50 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 12 29 1 0 0 0 0 13 16 1 0 0 0 0 13 17 1 0 0 0 0 13 30 1 0 0 0 0 14 16 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 17 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 42 1 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 23 44 1 0 0 0 0 24 27 1 0 0 0 0 24 45 1 0 0 0 0 25 28 2 0 0 0 0 25 46 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 27 47 1 0 0 0 0 28 48 1 0 0 0 0 M END $$$$