REMARK Name = BDB026018 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.772 -0.761 -0.051 0.00 0.00 +0.022 A ATOM 2 C LIG 1 0.141 -2.008 -0.151 0.00 0.00 +0.133 A ATOM 3 F LIG 1 0.864 -3.137 -0.083 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.242 -2.139 -0.302 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -2.064 -1.014 -0.352 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -1.440 0.260 -0.280 0.00 0.00 +0.056 A ATOM 7 C LIG 1 -0.052 0.376 -0.126 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -3.465 -1.079 -0.451 0.00 0.00 -0.325 N ATOM 9 C LIG 1 -4.089 -2.096 -1.318 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -4.492 -3.415 -0.588 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -5.313 -4.250 -1.586 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -5.225 -3.190 0.694 0.00 0.00 -0.297 NA ATOM 13 C LIG 1 -5.488 -4.458 1.387 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -4.446 -2.251 1.558 0.00 0.00 +0.071 C ATOM 15 C LIG 1 -5.162 -1.929 2.880 0.00 0.00 +0.026 C ATOM 16 C LIG 1 -4.177 -0.903 0.835 0.00 0.00 +0.123 C ENDBRANCH 5 8 BRANCH 1 20 ATOM 17 C LIG 1 4.970 -0.383 0.426 0.00 0.00 +0.218 A ATOM 18 N LIG 1 4.492 -1.321 -0.408 0.00 0.00 -0.222 NA ATOM 19 C LIG 1 3.150 -1.424 -0.542 0.00 0.00 +0.124 A ATOM 20 C LIG 1 2.227 -0.635 0.115 0.00 0.00 +0.021 A ATOM 21 C LIG 1 2.825 0.290 0.948 0.00 0.00 +0.124 A ATOM 22 N LIG 1 4.159 0.430 1.118 0.00 0.00 -0.222 NA BRANCH 17 29 ATOM 23 C LIG 1 9.528 -1.154 -1.302 0.00 0.00 +0.039 C ATOM 24 C LIG 1 8.637 -0.483 -0.266 0.00 0.00 +0.133 C ATOM 25 O LIG 1 8.792 0.939 -0.422 0.00 0.00 -0.371 OA ATOM 26 C LIG 1 7.779 1.720 0.243 0.00 0.00 +0.133 C ATOM 27 C LIG 1 6.964 2.449 -0.822 0.00 0.00 +0.039 C ATOM 28 C LIG 1 6.887 0.924 1.223 0.00 0.00 +0.139 C ATOM 29 N LIG 1 6.337 -0.277 0.591 0.00 0.00 -0.295 N ATOM 30 C LIG 1 7.168 -0.922 -0.428 0.00 0.00 +0.139 C ENDBRANCH 17 29 ENDBRANCH 1 20 BRANCH 6 31 ATOM 31 N LIG 1 -2.297 1.373 -0.426 0.00 0.00 -0.280 N ATOM 32 H LIG 1 -3.257 1.095 -0.617 0.00 0.00 +0.155 HD ATOM 33 C LIG 1 -1.991 2.706 -0.299 0.00 0.00 +0.249 C ATOM 34 O LIG 1 -0.920 3.201 0.018 0.00 0.00 -0.270 OA BRANCH 33 35 ATOM 35 C LIG 1 -3.131 3.620 -0.562 0.00 0.00 +0.049 A ATOM 36 C LIG 1 -3.457 4.642 0.348 0.00 0.00 +0.070 A ATOM 37 C LIG 1 -4.518 5.509 0.026 0.00 0.00 +0.051 A ATOM 38 C LIG 1 -5.228 5.345 -1.160 0.00 0.00 +0.124 A ATOM 39 F LIG 1 -6.236 6.178 -1.443 0.00 0.00 -0.205 F ATOM 40 C LIG 1 -4.906 4.332 -2.054 0.00 0.00 +0.039 A ATOM 41 C LIG 1 -3.853 3.468 -1.759 0.00 0.00 +0.016 A BRANCH 36 42 ATOM 42 C LIG 1 -2.713 4.821 1.648 0.00 0.00 +0.418 C ATOM 43 F LIG 1 -2.483 3.651 2.305 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -3.418 5.584 2.537 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -1.518 5.451 1.508 0.00 0.00 -0.166 F ENDBRANCH 36 42 ENDBRANCH 33 35 ENDBRANCH 6 31 TORSDOF 6