REMARK Name = BDB063164 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.965 1.510 0.264 0.00 0.00 +0.136 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.431 0.937 0.189 0.00 0.00 -0.030 A ATOM 3 C LIG 1 -1.021 0.669 -1.053 0.00 0.00 +0.006 A ATOM 4 C LIG 1 -2.307 0.125 -1.127 0.00 0.00 +0.009 A ATOM 5 C LIG 1 -3.038 -0.169 0.034 0.00 0.00 -0.018 A ATOM 6 C LIG 1 -2.435 0.095 1.275 0.00 0.00 +0.009 A ATOM 7 C LIG 1 -1.148 0.638 1.354 0.00 0.00 +0.006 A BRANCH 5 8 ATOM 8 C LIG 1 -4.391 -0.743 -0.045 0.00 0.00 -0.018 A ATOM 9 C LIG 1 -5.474 -0.134 0.617 0.00 0.00 +0.011 A ATOM 10 C LIG 1 -6.759 -0.678 0.541 0.00 0.00 +0.039 A ATOM 11 C LIG 1 -6.971 -1.835 -0.196 0.00 0.00 +0.123 A ATOM 12 F LIG 1 -8.202 -2.357 -0.268 0.00 0.00 -0.205 F ATOM 13 C LIG 1 -5.923 -2.459 -0.859 0.00 0.00 +0.039 A ATOM 14 C LIG 1 -4.638 -1.914 -0.784 0.00 0.00 +0.011 A ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 15 ATOM 15 N LIG 1 1.927 0.470 -0.082 0.00 0.00 -0.340 N ATOM 16 H LIG 1 1.649 -0.442 0.279 0.00 0.00 +0.146 HD BRANCH 15 19 ATOM 17 C LIG 1 5.558 -0.214 0.109 0.00 0.00 +0.063 A ATOM 18 C LIG 1 4.167 -0.390 0.058 0.00 0.00 +0.038 A ATOM 19 C LIG 1 3.295 0.709 0.055 0.00 0.00 +0.031 A ATOM 20 C LIG 1 3.862 1.988 0.049 0.00 0.00 +0.061 A ATOM 21 C LIG 1 5.245 2.153 0.121 0.00 0.00 +0.126 A ATOM 22 F LIG 1 5.757 3.391 0.144 0.00 0.00 -0.205 F ATOM 23 C LIG 1 6.104 1.066 0.162 0.00 0.00 +0.053 A BRANCH 17 25 ATOM 24 O LIG 1 6.146 -2.409 0.788 0.00 0.00 -0.245 OA ATOM 25 C LIG 1 6.417 -1.416 0.138 0.00 0.00 +0.337 C BRANCH 25 26 ATOM 26 O LIG 1 7.503 -1.309 -0.655 0.00 0.00 -0.477 OA ATOM 27 H LIG 1 7.506 -0.535 -1.249 0.00 0.00 +0.295 HD ENDBRANCH 25 26 ENDBRANCH 17 25 ENDBRANCH 15 19 ENDBRANCH 1 15 TORSDOF 6