REMARK Name = BDB009507 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.079 -1.660 -1.596 0.00 0.00 +0.072 A ATOM 2 C LIG 1 0.083 -1.740 -2.973 0.00 0.00 +0.135 A ATOM 3 F LIG 1 1.290 -1.954 -3.514 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.019 -1.617 -3.814 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -2.286 -1.395 -3.269 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.459 -1.275 -1.879 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -1.341 -1.418 -1.043 0.00 0.00 +0.020 A ENDROOT BRANCH 1 9 ATOM 8 N LIG 1 1.708 -2.984 -0.506 0.00 0.00 -0.296 N ATOM 9 C LIG 1 1.087 -1.748 -0.706 0.00 0.00 +0.249 C ATOM 10 O LIG 1 1.443 -0.697 -0.175 0.00 0.00 -0.270 OA BRANCH 8 12 ATOM 11 C LIG 1 0.183 -4.835 0.127 0.00 0.00 +0.024 C ATOM 12 C LIG 1 1.117 -4.259 -0.928 0.00 0.00 +0.105 C ENDBRANCH 8 12 BRANCH 8 13 ATOM 13 C LIG 1 2.816 -3.069 0.466 0.00 0.00 +0.127 C BRANCH 13 14 ATOM 14 C LIG 1 4.068 -2.272 0.052 0.00 0.00 +0.124 C BRANCH 14 15 ATOM 15 N LIG 1 4.020 -0.890 0.492 0.00 0.00 -0.298 N ATOM 16 H LIG 1 3.193 -0.398 0.162 0.00 0.00 +0.150 HD ATOM 17 C LIG 1 4.345 -0.570 1.786 0.00 0.00 +0.302 C ATOM 18 N LIG 1 4.119 0.742 2.121 0.00 0.00 -0.286 N ATOM 19 C LIG 1 3.668 1.813 1.244 0.00 0.00 +0.109 C ATOM 20 C LIG 1 3.962 3.088 2.022 0.00 0.00 +0.020 C ATOM 21 C LIG 1 3.814 2.642 3.472 0.00 0.00 +0.020 C ATOM 22 C LIG 1 4.399 1.236 3.456 0.00 0.00 +0.109 C ATOM 23 O LIG 1 4.813 -1.389 2.574 0.00 0.00 -0.253 OA ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 8 13 ENDBRANCH 1 9 BRANCH 6 24 ATOM 24 C LIG 1 -3.842 -1.051 -1.307 0.00 0.00 +0.092 C BRANCH 24 25 ATOM 25 C LIG 1 -3.897 -0.010 -0.191 0.00 0.00 +0.069 A ATOM 26 C LIG 1 -3.742 1.443 -0.520 0.00 0.00 -0.016 A ATOM 27 C LIG 1 -3.554 1.901 -1.940 0.00 0.00 +0.037 C ATOM 28 C LIG 1 -3.747 3.411 -2.120 0.00 0.00 +0.005 C ATOM 29 C LIG 1 -3.055 4.189 -1.007 0.00 0.00 +0.005 C ATOM 30 C LIG 1 -3.606 3.790 0.364 0.00 0.00 +0.041 C ATOM 31 C LIG 1 -3.781 2.303 0.514 0.00 0.00 +0.023 A ATOM 32 C LIG 1 -3.985 1.799 1.897 0.00 0.00 +0.268 A ATOM 33 O LIG 1 -4.034 2.557 2.861 0.00 0.00 -0.266 OA ATOM 34 N LIG 1 -4.115 0.442 2.026 0.00 0.00 -0.243 N ATOM 35 H LIG 1 -4.247 0.076 2.964 0.00 0.00 +0.192 HD ATOM 36 N LIG 1 -4.071 -0.466 1.015 0.00 0.00 -0.175 NA ENDBRANCH 24 25 ENDBRANCH 6 24 TORSDOF 7