REMARK Name = BDB009458 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.309 -0.089 -1.663 0.00 0.00 +0.247 C ATOM 2 N LIG 1 3.100 -0.610 -1.194 0.00 0.00 -0.296 N ATOM 3 C LIG 1 2.920 -1.062 0.201 0.00 0.00 +0.127 C ATOM 4 C LIG 1 1.470 -1.260 0.680 0.00 0.00 +0.127 C ATOM 5 N LIG 1 0.576 -0.096 0.600 0.00 0.00 -0.296 N ATOM 6 C LIG 1 -0.736 -0.305 1.028 0.00 0.00 +0.249 C ATOM 7 O LIG 1 -1.145 -1.378 1.468 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 1.031 1.097 -0.121 0.00 0.00 +0.109 C ATOM 9 C LIG 1 1.151 0.876 -1.627 0.00 0.00 +0.038 C ATOM 10 C LIG 1 1.911 -0.391 -2.013 0.00 0.00 +0.109 C ATOM 11 O LIG 1 4.420 0.554 -2.703 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 19 ATOM 12 C LIG 1 10.226 1.264 2.467 0.00 0.00 +0.086 C ATOM 13 C LIG 1 9.096 0.758 1.653 0.00 0.00 +0.105 A ATOM 14 N LIG 1 8.933 -0.577 1.376 0.00 0.00 -0.342 N ATOM 15 H LIG 1 9.542 -1.321 1.683 0.00 0.00 +0.167 HD ATOM 16 C LIG 1 7.807 -0.723 0.606 0.00 0.00 +0.066 A ATOM 17 C LIG 1 7.333 0.575 0.446 0.00 0.00 +0.090 A ATOM 18 C LIG 1 6.177 0.801 -0.310 0.00 0.00 +0.043 A ATOM 19 C LIG 1 5.529 -0.313 -0.860 0.00 0.00 +0.039 A ATOM 20 C LIG 1 6.032 -1.612 -0.701 0.00 0.00 +0.015 A ATOM 21 C LIG 1 7.190 -1.845 0.047 0.00 0.00 +0.028 A ATOM 22 N LIG 1 8.138 1.473 1.103 0.00 0.00 -0.233 NA ENDBRANCH 1 19 BRANCH 6 23 ATOM 23 C LIG 1 -1.711 0.785 0.922 0.00 0.00 +0.072 A ATOM 24 C LIG 1 -1.701 1.823 1.847 0.00 0.00 +0.135 A ATOM 25 F LIG 1 -0.779 1.872 2.818 0.00 0.00 -0.205 F ATOM 26 C LIG 1 -2.645 2.841 1.762 0.00 0.00 +0.039 A ATOM 27 C LIG 1 -3.614 2.807 0.754 0.00 0.00 +0.007 A ATOM 28 C LIG 1 -3.655 1.746 -0.168 0.00 0.00 -0.041 A ATOM 29 C LIG 1 -2.684 0.737 -0.083 0.00 0.00 +0.020 A BRANCH 28 30 ATOM 30 C LIG 1 -4.707 1.742 -1.256 0.00 0.00 +0.094 C BRANCH 30 31 ATOM 31 C LIG 1 -5.283 0.367 -1.569 0.00 0.00 +0.087 A ATOM 32 C LIG 1 -6.271 -0.244 -0.613 0.00 0.00 +0.059 A ATOM 33 N LIG 1 -6.616 0.383 0.581 0.00 0.00 -0.342 N ATOM 34 H LIG 1 -5.873 0.964 0.965 0.00 0.00 +0.146 HD ATOM 35 C LIG 1 -7.340 -0.361 1.610 0.00 0.00 +0.102 C ATOM 36 C LIG 1 -8.416 -1.219 0.951 0.00 0.00 +0.023 C ATOM 37 C LIG 1 -7.813 -2.132 -0.124 0.00 0.00 +0.044 C ATOM 38 C LIG 1 -6.797 -1.424 -0.977 0.00 0.00 +0.041 A ATOM 39 C LIG 1 -6.368 -2.081 -2.231 0.00 0.00 +0.270 A ATOM 40 O LIG 1 -6.829 -3.161 -2.585 0.00 0.00 -0.266 OA ATOM 41 N LIG 1 -5.419 -1.418 -2.964 0.00 0.00 -0.243 N ATOM 42 H LIG 1 -5.116 -1.853 -3.829 0.00 0.00 +0.192 HD ATOM 43 N LIG 1 -4.882 -0.203 -2.668 0.00 0.00 -0.174 NA ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 6 23 TORSDOF 4