REMARK Name = BDB026140 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.242 1.803 -1.259 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -2.828 0.514 -1.691 0.00 0.00 +0.056 A ATOM 3 C LIG 1 -1.511 0.087 -1.483 0.00 0.00 +0.036 A ATOM 4 C LIG 1 -0.576 0.897 -0.813 0.00 0.00 +0.022 A ATOM 5 C LIG 1 -1.010 2.155 -0.380 0.00 0.00 +0.133 A ATOM 6 F LIG 1 -0.168 2.968 0.277 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -2.311 2.608 -0.598 0.00 0.00 +0.064 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -7.235 2.086 1.310 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -6.245 2.741 0.342 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -6.962 3.753 -0.485 0.00 0.00 -0.300 NA ATOM 11 C LIG 1 -7.016 5.048 0.196 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -6.351 3.889 -1.829 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -4.834 3.600 -1.864 0.00 0.00 +0.120 C ATOM 14 N LIG 1 -4.574 2.201 -1.472 0.00 0.00 -0.326 N ATOM 15 C LIG 1 -5.543 1.632 -0.496 0.00 0.00 +0.123 C ENDBRANCH 1 14 BRANCH 4 16 ATOM 16 C LIG 1 0.800 0.436 -0.594 0.00 0.00 +0.021 A ATOM 17 C LIG 1 1.917 1.215 -0.815 0.00 0.00 +0.124 A ATOM 18 N LIG 1 3.192 0.801 -0.639 0.00 0.00 -0.222 NA ATOM 19 C LIG 1 3.394 -0.456 -0.211 0.00 0.00 +0.218 A ATOM 20 N LIG 1 2.373 -1.292 0.039 0.00 0.00 -0.222 NA ATOM 21 C LIG 1 1.117 -0.833 -0.152 0.00 0.00 +0.124 A BRANCH 19 22 ATOM 22 N LIG 1 4.701 -0.916 -0.052 0.00 0.00 -0.297 N ATOM 23 C LIG 1 4.828 -2.061 0.857 0.00 0.00 +0.123 C ATOM 24 C LIG 1 6.283 -2.569 0.890 0.00 0.00 +0.104 C ATOM 25 N LIG 1 7.306 -1.554 1.203 0.00 0.00 -0.295 NA ATOM 26 C LIG 1 7.131 -0.413 0.277 0.00 0.00 +0.104 C ATOM 27 C LIG 1 5.694 0.151 0.123 0.00 0.00 +0.123 C BRANCH 25 28 ATOM 28 C LIG 1 7.575 -1.230 2.625 0.00 0.00 +0.014 C ATOM 29 C LIG 1 7.445 -2.464 3.550 0.00 0.00 +0.027 C ATOM 30 C LIG 1 6.706 -0.109 3.225 0.00 0.00 +0.027 C ATOM 31 C LIG 1 9.056 -0.783 2.711 0.00 0.00 +0.027 C ENDBRANCH 25 28 ENDBRANCH 19 22 ENDBRANCH 4 16 BRANCH 2 32 ATOM 32 N LIG 1 -3.799 -0.236 -2.386 0.00 0.00 -0.280 N ATOM 33 H LIG 1 -4.600 0.327 -2.671 0.00 0.00 +0.155 HD ATOM 34 C LIG 1 -3.898 -1.545 -2.771 0.00 0.00 +0.249 C ATOM 35 O LIG 1 -4.762 -1.915 -3.561 0.00 0.00 -0.270 OA BRANCH 34 36 ATOM 36 C LIG 1 -3.024 -2.578 -2.190 0.00 0.00 +0.049 A ATOM 37 C LIG 1 -3.103 -2.947 -0.835 0.00 0.00 +0.070 A ATOM 38 C LIG 1 -2.226 -3.943 -0.367 0.00 0.00 +0.051 A ATOM 39 C LIG 1 -1.338 -4.567 -1.239 0.00 0.00 +0.124 A ATOM 40 F LIG 1 -0.519 -5.517 -0.771 0.00 0.00 -0.205 F ATOM 41 C LIG 1 -1.294 -4.228 -2.584 0.00 0.00 +0.039 A ATOM 42 C LIG 1 -2.147 -3.237 -3.067 0.00 0.00 +0.016 A BRANCH 37 43 ATOM 43 C LIG 1 -4.072 -2.310 0.126 0.00 0.00 +0.418 C ATOM 44 F LIG 1 -5.252 -1.921 -0.424 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -3.549 -1.206 0.727 0.00 0.00 -0.166 F ATOM 46 F LIG 1 -4.412 -3.146 1.149 0.00 0.00 -0.166 F ENDBRANCH 37 43 ENDBRANCH 34 36 ENDBRANCH 2 32 TORSDOF 7