REMARK Name = BDB020485 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.363 0.317 2.665 0.00 0.00 +0.041 C ATOM 2 C LIG 1 -3.458 1.087 1.704 0.00 0.00 +0.171 C ATOM 3 N LIG 1 -2.387 0.246 1.190 0.00 0.00 -0.318 N ATOM 4 C LIG 1 -1.208 0.108 1.883 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -0.469 -0.794 1.155 0.00 0.00 +0.094 A ATOM 6 N LIG 1 -1.139 -1.137 0.009 0.00 0.00 -0.232 NA ATOM 7 C LIG 1 -0.971 0.870 3.125 0.00 0.00 +0.163 C ATOM 8 N LIG 1 -1.620 2.169 3.005 0.00 0.00 -0.297 N ATOM 9 C LIG 1 -1.108 3.239 3.842 0.00 0.00 +0.132 C ATOM 10 C LIG 1 -2.288 -0.483 0.028 0.00 0.00 +0.114 A ATOM 11 C LIG 1 -2.884 2.305 2.434 0.00 0.00 +0.238 C ATOM 12 O LIG 1 -3.550 3.336 2.535 0.00 0.00 -0.273 OA ENDROOT BRANCH 5 13 ATOM 13 C LIG 1 0.847 -1.302 1.501 0.00 0.00 +0.011 A ATOM 14 C LIG 1 1.965 -1.135 0.635 0.00 0.00 +0.010 A ATOM 15 C LIG 1 3.218 -1.642 1.026 0.00 0.00 +0.072 A ATOM 16 N LIG 1 4.322 -1.510 0.275 0.00 0.00 -0.246 NA ATOM 17 C LIG 1 4.254 -0.862 -0.918 0.00 0.00 +0.083 A ATOM 18 C LIG 1 3.067 -0.354 -1.425 0.00 0.00 +0.044 A ATOM 19 C LIG 1 3.331 -2.301 2.241 0.00 0.00 +0.028 A ATOM 20 C LIG 1 2.239 -2.480 3.089 0.00 0.00 +0.003 A ATOM 21 C LIG 1 1.925 -0.481 -0.616 0.00 0.00 +0.022 A ATOM 22 C LIG 1 0.997 -1.981 2.719 0.00 0.00 +0.011 A BRANCH 17 23 ATOM 23 C LIG 1 5.541 -0.775 -1.581 0.00 0.00 +0.038 A ATOM 24 C LIG 1 6.086 0.343 -2.179 0.00 0.00 +0.118 A ATOM 25 N LIG 1 7.321 -0.028 -2.627 0.00 0.00 -0.274 N ATOM 26 C LIG 1 8.266 0.793 -3.345 0.00 0.00 +0.172 C ATOM 27 N LIG 1 7.646 -1.296 -2.320 0.00 0.00 -0.179 NA ATOM 28 C LIG 1 6.570 -1.741 -1.663 0.00 0.00 +0.144 A ENDBRANCH 17 23 BRANCH 18 29 ATOM 29 C LIG 1 2.942 0.309 -2.762 0.00 0.00 +0.374 C ATOM 30 F LIG 1 3.643 -0.298 -3.759 0.00 0.00 -0.204 F ATOM 31 F LIG 1 3.343 1.611 -2.748 0.00 0.00 -0.204 F ENDBRANCH 18 29 ENDBRANCH 5 13 BRANCH 10 32 ATOM 32 C LIG 1 -3.269 -0.550 -1.114 0.00 0.00 +0.058 C ATOM 33 C LIG 1 -4.656 -1.057 -0.700 0.00 0.00 +0.034 C ATOM 34 C LIG 1 -5.545 -1.339 -1.905 0.00 0.00 +0.166 C ATOM 35 S LIG 1 -5.785 0.128 -2.884 0.00 0.00 -0.031 S ATOM 36 O LIG 1 -6.408 1.130 -2.042 0.00 0.00 -0.174 OA ATOM 37 O LIG 1 -6.378 -0.268 -4.145 0.00 0.00 -0.174 OA ATOM 38 C LIG 1 -4.108 0.637 -3.200 0.00 0.00 +0.166 C ATOM 39 C LIG 1 -3.309 0.766 -1.909 0.00 0.00 +0.034 C ENDBRANCH 10 32 TORSDOF 4