REMARK Name = BDB037837 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.098 1.889 0.624 0.00 0.00 -0.255 N ATOM 2 C LIG 1 -0.982 1.007 -0.019 0.00 0.00 +0.130 A ATOM 3 C LIG 1 -0.631 -0.266 -0.437 0.00 0.00 +0.030 A ATOM 4 C LIG 1 -1.770 -0.813 -1.083 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -2.773 0.081 -1.059 0.00 0.00 -0.164 NA ATOM 6 C LIG 1 0.726 -0.842 -0.184 0.00 0.00 +0.057 C ATOM 7 C LIG 1 1.716 0.346 -0.231 0.00 0.00 +0.167 C ATOM 8 N LIG 1 -2.314 1.135 -0.346 0.00 0.00 -0.246 N ATOM 9 C LIG 1 1.253 1.484 0.714 0.00 0.00 +0.242 C ATOM 10 O LIG 1 2.068 2.041 1.461 0.00 0.00 -0.273 OA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -1.900 -2.137 -1.727 0.00 0.00 +0.268 C ATOM 12 N LIG 1 -3.159 -2.547 -2.099 0.00 0.00 -0.280 N ATOM 13 C LIG 1 -4.504 -2.107 -1.744 0.00 0.00 +0.181 C ATOM 14 C LIG 1 -4.998 -3.310 -2.574 0.00 0.00 +0.057 C ATOM 15 C LIG 1 -3.567 -3.857 -2.567 0.00 0.00 +0.112 C ATOM 16 O LIG 1 -0.924 -2.857 -1.938 0.00 0.00 -0.268 OA BRANCH 13 17 ATOM 17 C LIG 1 -4.795 -2.175 -0.322 0.00 0.00 +0.085 C ATOM 18 N LIG 1 -5.042 -2.240 0.812 0.00 0.00 -0.195 NA ENDBRANCH 13 17 ENDBRANCH 4 11 BRANCH 8 19 ATOM 19 C LIG 1 -3.249 2.231 -0.117 0.00 0.00 +0.114 C ATOM 20 C LIG 1 -3.195 3.253 -1.257 0.00 0.00 +0.055 C ATOM 21 C LIG 1 -4.183 4.378 -0.995 0.00 0.00 +0.162 C ATOM 22 O LIG 1 -5.500 3.864 -0.813 0.00 0.00 -0.380 OA ATOM 23 C LIG 1 -5.599 2.983 0.304 0.00 0.00 +0.162 C ATOM 24 C LIG 1 -4.701 1.772 0.106 0.00 0.00 +0.055 C ENDBRANCH 8 19 BRANCH 7 25 ATOM 25 N LIG 1 3.098 -0.004 0.095 0.00 0.00 -0.299 N ATOM 26 H LIG 1 3.419 0.259 1.019 0.00 0.00 +0.150 HD ATOM 27 C LIG 1 3.897 -0.698 -0.778 0.00 0.00 +0.245 C ATOM 28 O LIG 1 3.506 -1.093 -1.870 0.00 0.00 -0.270 OA BRANCH 27 29 ATOM 29 C LIG 1 5.285 -0.988 -0.326 0.00 0.00 +0.037 A ATOM 30 C LIG 1 5.972 -0.152 0.566 0.00 0.00 +0.025 A ATOM 31 C LIG 1 7.285 -0.460 0.964 0.00 0.00 +0.056 A ATOM 32 C LIG 1 7.896 -1.619 0.461 0.00 0.00 +0.012 A ATOM 33 C LIG 1 7.220 -2.444 -0.439 0.00 0.00 +0.001 A ATOM 34 C LIG 1 5.921 -2.126 -0.836 0.00 0.00 +0.013 A BRANCH 31 35 ATOM 35 C LIG 1 8.011 0.435 1.939 0.00 0.00 +0.417 C ATOM 36 F LIG 1 7.610 0.228 3.224 0.00 0.00 -0.166 F ATOM 37 F LIG 1 9.362 0.260 1.934 0.00 0.00 -0.166 F ATOM 38 F LIG 1 7.806 1.758 1.692 0.00 0.00 -0.166 F ENDBRANCH 31 35 ENDBRANCH 27 29 ENDBRANCH 7 25 BRANCH 6 39 ATOM 39 C LIG 1 0.796 -1.579 1.149 0.00 0.00 -0.001 C ATOM 40 C LIG 1 0.297 -2.999 1.273 0.00 0.00 +0.004 C ATOM 41 C LIG 1 1.770 -2.715 1.351 0.00 0.00 +0.004 C ENDBRANCH 6 39 BRANCH 1 43 ATOM 42 C LIG 1 -0.937 2.790 2.768 0.00 0.00 +0.025 C ATOM 43 C LIG 1 -0.451 3.097 1.360 0.00 0.00 +0.112 C ENDBRANCH 1 43 TORSDOF 8