REMARK Name = BDB030934 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.731 0.718 -1.332 0.00 0.00 +0.081 A ATOM 2 C LIG 1 2.273 -0.013 -2.449 0.00 0.00 +0.175 A ATOM 3 C LIG 1 1.341 -1.044 -2.247 0.00 0.00 +0.092 A ATOM 4 C LIG 1 0.903 -1.405 -0.971 0.00 0.00 +0.013 A ATOM 5 C LIG 1 -0.023 -2.480 -1.126 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -0.145 -2.729 -2.477 0.00 0.00 +0.093 A ATOM 7 C LIG 1 1.413 -0.703 0.139 0.00 0.00 +0.013 A ATOM 8 N LIG 1 0.679 -1.859 -3.141 0.00 0.00 -0.357 N ATOM 9 H LIG 1 0.799 -1.825 -4.145 0.00 0.00 +0.165 HD ATOM 10 C LIG 1 2.312 0.356 -0.053 0.00 0.00 +0.028 A ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 -0.778 -3.188 -0.108 0.00 0.00 +0.096 A ATOM 12 C LIG 1 -0.511 -4.494 0.245 0.00 0.00 +0.085 A ATOM 13 CL LIG 1 0.717 -5.474 -0.445 0.00 0.00 -0.080 Cl ATOM 14 C LIG 1 -1.309 -4.984 1.250 0.00 0.00 +0.136 A ATOM 15 N LIG 1 -2.281 -4.270 1.858 0.00 0.00 -0.221 NA ATOM 16 C LIG 1 -2.472 -3.013 1.438 0.00 0.00 +0.216 A ATOM 17 N LIG 1 -1.746 -2.441 0.476 0.00 0.00 -0.213 NA BRANCH 16 18 ATOM 18 N LIG 1 -3.483 -2.330 2.073 0.00 0.00 -0.309 N ATOM 19 H LIG 1 -3.694 -2.827 2.931 0.00 0.00 +0.149 HD BRANCH 18 20 ATOM 20 C LIG 1 -3.498 -0.873 2.171 0.00 0.00 +0.087 C ATOM 21 C LIG 1 -3.822 -0.171 0.836 0.00 0.00 +0.103 C ATOM 22 N LIG 1 -3.890 1.295 0.971 0.00 0.00 -0.309 NA ATOM 23 H LIG 1 -4.069 1.697 0.051 0.00 0.00 +0.123 HD ATOM 24 C LIG 1 -2.669 1.889 1.545 0.00 0.00 +0.014 C ATOM 25 C LIG 1 -2.972 3.378 1.792 0.00 0.00 +0.027 C ATOM 26 C LIG 1 -1.488 1.800 0.561 0.00 0.00 +0.027 C ATOM 27 C LIG 1 -2.327 1.224 2.899 0.00 0.00 +0.023 C ATOM 28 C LIG 1 -2.234 -0.300 2.819 0.00 0.00 +0.025 C ENDBRANCH 18 20 ENDBRANCH 16 18 ENDBRANCH 5 11 BRANCH 1 30 ATOM 29 C LIG 1 4.184 2.652 -0.692 0.00 0.00 +0.404 C ATOM 30 N LIG 1 3.601 1.798 -1.581 0.00 0.00 -0.248 N ATOM 31 H LIG 1 3.812 2.007 -2.547 0.00 0.00 +0.158 HD ATOM 32 O LIG 1 4.091 2.653 0.525 0.00 0.00 -0.226 OA BRANCH 29 34 ATOM 33 C LIG 1 5.599 4.514 -0.590 0.00 0.00 +0.282 C ATOM 34 O LIG 1 4.924 3.550 -1.399 0.00 0.00 -0.453 OA ENDBRANCH 29 34 ENDBRANCH 1 30 BRANCH 2 35 ATOM 35 O LIG 1 2.689 0.382 -3.704 0.00 0.00 -0.402 OA BRANCH 35 36 ATOM 36 C LIG 1 3.546 -0.591 -4.294 0.00 0.00 +0.575 C ATOM 37 F LIG 1 4.226 0.000 -5.301 0.00 0.00 -0.133 F ATOM 38 F LIG 1 2.817 -1.600 -4.820 0.00 0.00 -0.133 F ATOM 39 F LIG 1 4.441 -1.084 -3.415 0.00 0.00 -0.133 F ENDBRANCH 35 36 ENDBRANCH 2 35 TORSDOF 7