REMARK Name = BDB032142 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.438 1.026 -1.487 0.00 0.00 -0.007 A ATOM 2 C LIG 1 2.384 0.068 -1.089 0.00 0.00 +0.020 A ATOM 3 C LIG 1 3.567 0.521 -0.531 0.00 0.00 +0.045 A ATOM 4 C LIG 1 4.717 -0.246 -0.043 0.00 0.00 +0.248 C ATOM 5 N LIG 1 5.614 0.669 0.489 0.00 0.00 -0.282 N ATOM 6 C LIG 1 5.199 2.045 0.242 0.00 0.00 +0.147 C ATOM 7 O LIG 1 4.826 -1.454 -0.129 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 3.848 1.870 -0.351 0.00 0.00 +0.017 A ATOM 9 C LIG 1 2.923 2.812 -0.731 0.00 0.00 +0.129 A ATOM 10 F LIG 1 3.174 4.116 -0.562 0.00 0.00 -0.205 F ATOM 11 C LIG 1 1.714 2.399 -1.294 0.00 0.00 +0.045 A ENDROOT BRANCH 5 12 ATOM 12 C LIG 1 6.989 0.349 0.862 0.00 0.00 +0.163 C ATOM 13 C LIG 1 7.867 0.150 -0.383 0.00 0.00 +0.240 C ATOM 14 O LIG 1 7.674 0.731 -1.450 0.00 0.00 -0.273 OA ATOM 15 N LIG 1 8.980 -0.642 -0.214 0.00 0.00 -0.255 N ATOM 16 H LIG 1 9.574 -0.748 -1.026 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 9.425 -1.238 0.939 0.00 0.00 +0.219 C ATOM 18 O LIG 1 10.504 -1.824 0.972 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 8.570 -1.056 2.171 0.00 0.00 +0.098 C ATOM 20 C LIG 1 7.109 -0.850 1.802 0.00 0.00 +0.041 C ENDBRANCH 5 12 BRANCH 1 21 ATOM 21 C LIG 1 0.119 0.597 -2.079 0.00 0.00 +0.269 C BRANCH 21 22 ATOM 22 O LIG 1 -0.839 0.568 -1.018 0.00 0.00 -0.445 OA BRANCH 22 25 ATOM 23 N LIG 1 -2.903 0.230 -0.326 0.00 0.00 -0.251 N ATOM 24 H LIG 1 -2.420 0.452 0.533 0.00 0.00 +0.158 HD ATOM 25 C LIG 1 -2.093 0.237 -1.425 0.00 0.00 +0.405 C ATOM 26 O LIG 1 -2.388 -0.003 -2.585 0.00 0.00 -0.226 OA BRANCH 23 30 ATOM 27 C LIG 1 -7.049 -0.606 0.056 0.00 0.00 -0.041 A ATOM 28 C LIG 1 -6.242 -0.278 1.156 0.00 0.00 +0.006 A ATOM 29 C LIG 1 -4.877 -0.007 1.006 0.00 0.00 +0.024 A ATOM 30 C LIG 1 -4.277 -0.053 -0.255 0.00 0.00 +0.036 A ATOM 31 C LIG 1 -5.064 -0.369 -1.360 0.00 0.00 +0.024 A ATOM 32 C LIG 1 -6.430 -0.637 -1.203 0.00 0.00 +0.006 A BRANCH 27 34 ATOM 33 C LIG 1 -9.423 0.328 0.102 0.00 0.00 +0.016 C ATOM 34 C LIG 1 -8.535 -0.887 0.217 0.00 0.00 -0.007 C ATOM 35 C LIG 1 -9.081 -2.207 -0.299 0.00 0.00 +0.012 C ATOM 36 C LIG 1 -8.965 -1.982 1.178 0.00 0.00 +0.012 C ENDBRANCH 27 34 ENDBRANCH 23 30 ENDBRANCH 22 25 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 6