REMARK Name = BDB030375 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.416 -0.222 0.945 0.00 0.00 -0.004 A ATOM 2 C LIG 1 0.119 1.127 1.147 0.00 0.00 +0.164 A ATOM 3 F LIG 1 1.077 1.953 1.594 0.00 0.00 -0.202 F ATOM 4 C LIG 1 -1.153 1.639 0.887 0.00 0.00 +0.180 A ATOM 5 F LIG 1 -1.339 2.958 1.058 0.00 0.00 -0.200 F ATOM 6 C LIG 1 -2.192 0.824 0.413 0.00 0.00 +0.082 A ATOM 7 C LIG 1 -1.891 -0.546 0.218 0.00 0.00 +0.061 A ATOM 8 C LIG 1 -0.601 -1.056 0.467 0.00 0.00 +0.021 A ENDROOT BRANCH 7 9 ATOM 9 C LIG 1 -2.941 -1.470 -0.295 0.00 0.00 +0.246 C ATOM 10 N LIG 1 -2.958 -2.735 0.263 0.00 0.00 -0.308 N ATOM 11 H LIG 1 -2.400 -2.919 1.087 0.00 0.00 +0.149 HD ATOM 12 O LIG 1 -3.737 -1.076 -1.142 0.00 0.00 -0.270 OA BRANCH 10 13 ATOM 13 C LIG 1 -3.944 -3.703 -0.102 0.00 0.00 +0.073 C ATOM 14 C LIG 1 -3.781 -5.146 0.291 0.00 0.00 +0.024 C ATOM 15 C LIG 1 -3.639 -4.741 -1.146 0.00 0.00 +0.024 C ENDBRANCH 10 13 ENDBRANCH 7 9 BRANCH 6 16 ATOM 16 N LIG 1 -3.506 1.293 0.188 0.00 0.00 -0.309 N ATOM 17 H LIG 1 -3.998 0.768 -0.549 0.00 0.00 +0.152 HD BRANCH 16 18 ATOM 18 C LIG 1 -4.271 2.349 0.712 0.00 0.00 +0.067 A ATOM 19 C LIG 1 -5.361 2.836 -0.030 0.00 0.00 +0.145 A ATOM 20 F LIG 1 -5.661 2.263 -1.208 0.00 0.00 -0.204 F ATOM 21 C LIG 1 -6.152 3.893 0.412 0.00 0.00 +0.054 A ATOM 22 C LIG 1 -5.855 4.494 1.629 0.00 0.00 +0.016 A ATOM 23 I LIG 1 -7.015 6.074 2.315 0.00 0.00 -0.044 I ATOM 24 C LIG 1 -4.781 4.037 2.393 0.00 0.00 +0.016 A ATOM 25 C LIG 1 -3.996 2.971 1.934 0.00 0.00 +0.027 A ENDBRANCH 16 18 ENDBRANCH 6 16 BRANCH 1 26 ATOM 26 C LIG 1 1.809 -0.747 1.183 0.00 0.00 +0.073 C BRANCH 26 29 ATOM 27 C LIG 1 4.185 0.432 -1.556 0.00 0.00 +0.049 A ATOM 28 C LIG 1 3.407 0.407 -0.398 0.00 0.00 +0.028 A ATOM 29 C LIG 1 2.668 -0.738 -0.060 0.00 0.00 -0.041 A ATOM 30 C LIG 1 2.716 -1.852 -0.910 0.00 0.00 +0.004 A ATOM 31 C LIG 1 3.487 -1.822 -2.073 0.00 0.00 +0.002 A ATOM 32 C LIG 1 4.219 -0.680 -2.397 0.00 0.00 +0.024 A BRANCH 27 33 ATOM 33 N LIG 1 4.944 1.584 -1.901 0.00 0.00 -0.207 N ATOM 34 H LIG 1 5.193 1.685 -2.882 0.00 0.00 +0.175 HD BRANCH 33 35 ATOM 35 S LIG 1 6.210 2.091 -0.935 0.00 0.00 +0.109 S ATOM 36 O LIG 1 5.854 2.075 0.461 0.00 0.00 -0.138 OA ATOM 37 O LIG 1 6.767 3.261 -1.570 0.00 0.00 -0.138 OA BRANCH 35 39 ATOM 38 C LIG 1 7.309 -0.279 -0.309 0.00 0.00 +0.129 C ATOM 39 N LIG 1 7.332 0.875 -1.219 0.00 0.00 -0.180 NA ATOM 40 H LIG 1 8.254 1.313 -1.262 0.00 0.00 +0.149 HD ENDBRANCH 35 39 ENDBRANCH 33 35 ENDBRANCH 27 33 ENDBRANCH 26 29 ENDBRANCH 1 26 TORSDOF 9