REMARK Name = BDB027431 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.723 1.128 1.162 0.00 0.00 +0.053 A ATOM 2 C LIG 1 -1.995 0.576 1.369 0.00 0.00 -0.003 A ATOM 3 C LIG 1 -3.119 1.423 1.359 0.00 0.00 +0.035 A ATOM 4 C LIG 1 -2.961 2.793 1.149 0.00 0.00 +0.071 A ATOM 5 N LIG 1 -1.739 3.335 0.936 0.00 0.00 -0.253 NA ATOM 6 C LIG 1 -0.668 2.506 0.950 0.00 0.00 +0.134 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -4.092 3.744 1.127 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -4.039 4.896 0.317 0.00 0.00 +0.051 A ATOM 9 C LIG 1 -5.097 5.801 0.285 0.00 0.00 +0.159 A ATOM 10 F LIG 1 -5.014 6.882 -0.503 0.00 0.00 -0.202 F ATOM 11 C LIG 1 -6.227 5.587 1.059 0.00 0.00 +0.158 A ATOM 12 F LIG 1 -7.245 6.457 1.028 0.00 0.00 -0.202 F ATOM 13 C LIG 1 -6.311 4.468 1.876 0.00 0.00 +0.042 A ATOM 14 C LIG 1 -5.250 3.555 1.911 0.00 0.00 +0.013 A ENDBRANCH 4 7 BRANCH 1 17 ATOM 15 C LIG 1 2.032 -1.016 -0.225 0.00 0.00 +0.075 C ATOM 16 C LIG 1 1.113 0.254 -0.145 0.00 0.00 +0.133 C ATOM 17 N LIG 1 0.405 0.296 1.152 0.00 0.00 -0.326 N ATOM 18 C LIG 1 1.296 0.496 2.314 0.00 0.00 +0.105 C ATOM 19 C LIG 1 2.709 -0.040 2.046 0.00 0.00 +0.021 C ATOM 20 C LIG 1 2.676 -1.293 1.170 0.00 0.00 +0.031 C BRANCH 15 23 ATOM 21 C LIG 1 5.173 0.122 -1.854 0.00 0.00 +0.129 A ATOM 22 N LIG 1 4.259 -0.171 -0.908 0.00 0.00 -0.235 NA ATOM 23 C LIG 1 3.088 -0.721 -1.308 0.00 0.00 +0.066 A ATOM 24 C LIG 1 2.825 -0.942 -2.650 0.00 0.00 +0.045 A ATOM 25 C LIG 1 3.821 -0.608 -3.539 0.00 0.00 +0.114 A ATOM 26 N LIG 1 5.000 -0.082 -3.170 0.00 0.00 -0.240 NA BRANCH 21 28 ATOM 27 C LIG 1 7.479 -0.413 -1.071 0.00 0.00 +0.012 C ATOM 28 C LIG 1 6.488 0.691 -1.399 0.00 0.00 +0.073 C ENDBRANCH 21 28 ENDBRANCH 15 23 BRANCH 15 29 ATOM 29 N LIG 1 1.259 -2.248 -0.524 0.00 0.00 -0.319 NA ATOM 30 H LIG 1 0.614 -2.108 -1.299 0.00 0.00 +0.119 HD ATOM 31 H LIG 1 1.893 -3.009 -0.758 0.00 0.00 +0.119 HD ENDBRANCH 15 29 ENDBRANCH 1 17 BRANCH 2 32 ATOM 32 C LIG 1 -2.183 -0.910 1.565 0.00 0.00 +0.161 C BRANCH 32 33 ATOM 33 N LIG 1 -2.187 -1.687 0.334 0.00 0.00 -0.310 N ATOM 34 C LIG 1 -2.212 -3.057 0.300 0.00 0.00 +0.166 A ATOM 35 C LIG 1 -2.178 -3.384 -1.046 0.00 0.00 +0.147 A ATOM 36 C LIG 1 -2.186 -4.753 -1.361 0.00 0.00 +0.147 A ATOM 37 N LIG 1 -2.203 -5.650 -0.350 0.00 0.00 -0.219 NA ATOM 38 C LIG 1 -2.242 -5.184 0.918 0.00 0.00 +0.225 A ATOM 39 N LIG 1 -2.134 -2.245 -1.827 0.00 0.00 -0.231 NA ATOM 40 N LIG 1 -2.258 -3.905 1.342 0.00 0.00 -0.216 NA ATOM 41 C LIG 1 -2.179 -1.250 -0.965 0.00 0.00 +0.202 A BRANCH 36 42 ATOM 42 N LIG 1 -2.164 -5.234 -2.664 0.00 0.00 -0.341 N ATOM 43 H LIG 1 -1.831 -4.563 -3.345 0.00 0.00 +0.144 HD ATOM 44 H LIG 1 -1.822 -6.184 -2.717 0.00 0.00 +0.144 HD ENDBRANCH 36 42 ENDBRANCH 32 33 ENDBRANCH 2 32 TORSDOF 8