REMARK Name = BDB027187 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.279 0.042 -0.626 0.00 0.00 -0.003 A ATOM 2 C LIG 1 0.601 1.194 0.105 0.00 0.00 +0.053 A ATOM 3 C LIG 1 1.822 1.171 0.787 0.00 0.00 +0.134 A ATOM 4 N LIG 1 2.694 0.134 0.799 0.00 0.00 -0.253 NA ATOM 5 C LIG 1 2.359 -0.985 0.113 0.00 0.00 +0.074 A ATOM 6 C LIG 1 1.170 -1.049 -0.612 0.00 0.00 +0.035 A ENDROOT BRANCH 2 7 ATOM 7 N LIG 1 -0.269 2.307 0.104 0.00 0.00 -0.327 N ATOM 8 C LIG 1 0.192 3.333 -0.872 0.00 0.00 +0.126 C ATOM 9 C LIG 1 -0.499 4.703 -0.647 0.00 0.00 +0.102 C ATOM 10 C LIG 1 -1.862 4.472 0.022 0.00 0.00 +0.186 C ATOM 11 F LIG 1 -2.492 5.672 0.187 0.00 0.00 -0.244 F ATOM 12 C LIG 1 -1.743 3.787 1.380 0.00 0.00 +0.057 C ATOM 13 C LIG 1 -0.535 2.854 1.448 0.00 0.00 +0.108 C BRANCH 9 14 ATOM 14 N LIG 1 0.340 5.620 0.161 0.00 0.00 -0.324 NA ATOM 15 H LIG 1 -0.216 6.454 0.370 0.00 0.00 +0.119 HD ATOM 16 H LIG 1 1.131 5.942 -0.398 0.00 0.00 +0.119 HD ENDBRANCH 9 14 ENDBRANCH 2 7 BRANCH 5 17 ATOM 17 C LIG 1 3.341 -2.086 0.172 0.00 0.00 +0.036 A ATOM 18 C LIG 1 2.975 -3.440 0.106 0.00 0.00 +0.133 A ATOM 19 F LIG 1 1.685 -3.797 0.004 0.00 0.00 -0.205 F ATOM 20 C LIG 1 3.920 -4.467 0.162 0.00 0.00 +0.039 A ATOM 21 C LIG 1 5.271 -4.163 0.291 0.00 0.00 +0.003 A ATOM 22 C LIG 1 5.670 -2.832 0.369 0.00 0.00 +0.001 A ATOM 23 C LIG 1 4.716 -1.810 0.313 0.00 0.00 +0.013 A ENDBRANCH 5 17 BRANCH 1 24 ATOM 24 C LIG 1 -1.017 -0.088 -1.387 0.00 0.00 +0.161 C BRANCH 24 29 ATOM 25 C LIG 1 -3.864 -3.584 0.377 0.00 0.00 +0.147 A ATOM 26 C LIG 1 -3.363 -2.279 0.235 0.00 0.00 +0.147 A ATOM 27 N LIG 1 -3.698 -1.079 0.833 0.00 0.00 -0.231 NA ATOM 28 C LIG 1 -2.874 -0.201 0.301 0.00 0.00 +0.202 A ATOM 29 N LIG 1 -2.022 -0.777 -0.603 0.00 0.00 -0.310 N ATOM 30 C LIG 1 -2.321 -2.110 -0.664 0.00 0.00 +0.166 A ATOM 31 N LIG 1 -1.737 -3.053 -1.420 0.00 0.00 -0.216 NA ATOM 32 C LIG 1 -2.287 -4.262 -1.184 0.00 0.00 +0.225 A ATOM 33 N LIG 1 -3.294 -4.578 -0.341 0.00 0.00 -0.219 NA BRANCH 25 34 ATOM 34 N LIG 1 -4.905 -3.909 1.239 0.00 0.00 -0.341 N ATOM 35 H LIG 1 -4.880 -4.885 1.504 0.00 0.00 +0.144 HD ATOM 36 H LIG 1 -5.037 -3.225 1.976 0.00 0.00 +0.144 HD ENDBRANCH 25 34 ENDBRANCH 24 29 ENDBRANCH 1 24 TORSDOF 6