B7DE4X -OEChem-04022118043D 45 48 0 0 0 0 0 0 0999 V2000 8.6153 -2.3722 -1.7165 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.4250 1.5369 -0.6807 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.7646 2.1510 -1.9495 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3916 2.3052 0.5478 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4067 -2.0708 1.5257 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7816 -1.6387 0.5472 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9678 1.4241 0.9359 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9758 0.6893 -0.8766 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5045 0.6789 0.2342 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5439 0.2131 -0.4169 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0562 -0.9449 0.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6483 -0.3184 0.0671 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6321 -1.0694 0.5988 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8725 0.3503 -0.8196 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9717 -1.9863 0.4177 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2169 -0.5115 0.3099 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7573 -0.6987 -0.5945 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3091 -1.8641 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8878 0.8681 0.4127 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4379 2.1450 0.2996 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7087 -0.2219 0.7017 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6298 1.2417 0.7641 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8089 2.3318 0.4752 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0798 -0.0351 0.8774 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8243 0.5316 0.3133 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6049 0.1655 -1.0146 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9065 -0.0010 1.0139 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4674 -0.7333 -1.6419 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7690 -0.9000 0.3867 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5495 -1.2662 -0.9411 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2865 0.9456 -1.5925 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2302 1.2593 -1.2933 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6626 -2.9174 0.8872 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7962 -0.6095 -0.8978 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0003 -2.6838 0.1996 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0270 1.5300 0.0364 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4596 -2.0893 1.7422 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8093 3.0028 0.0746 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3537 -1.2372 0.8098 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2319 3.3286 0.3855 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6926 -0.8981 1.1248 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7830 0.5823 -1.5906 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0818 0.2808 2.0485 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2873 -1.0057 -2.6787 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6083 -1.3068 0.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 8 1 0 0 0 0 2 10 1 0 0 0 0 5 13 1 0 0 0 0 5 37 1 0 0 0 0 6 16 2 0 0 0 0 7 22 1 0 0 0 0 7 25 1 0 0 0 0 8 12 1 0 0 0 0 8 31 1 0 0 0 0 9 16 1 0 0 0 0 9 19 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 14 2 0 0 0 0 11 13 1 0 0 0 0 11 15 2 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 14 17 1 0 0 0 0 14 32 1 0 0 0 0 15 18 1 0 0 0 0 15 33 1 0 0 0 0 17 18 2 0 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 23 1 0 0 0 0 20 38 1 0 0 0 0 21 24 2 0 0 0 0 21 39 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 26 42 1 0 0 0 0 27 29 2 0 0 0 0 27 43 1 0 0 0 0 28 30 2 0 0 0 0 28 44 1 0 0 0 0 29 30 1 0 0 0 0 29 45 1 0 0 0 0 M END $$$$