REMARK Name = BDB019738 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.515 0.777 -0.874 0.00 0.00 +0.040 A ATOM 2 C LIG 1 1.862 0.469 -1.134 0.00 0.00 +0.021 A ATOM 3 C LIG 1 2.897 1.299 -0.665 0.00 0.00 +0.008 A ATOM 4 C LIG 1 2.556 2.440 0.063 0.00 0.00 +0.163 A ATOM 5 F LIG 1 3.516 3.253 0.527 0.00 0.00 -0.202 F ATOM 6 C LIG 1 1.222 2.753 0.306 0.00 0.00 +0.159 A ATOM 7 F LIG 1 0.908 3.861 0.992 0.00 0.00 -0.202 F ATOM 8 C LIG 1 0.196 1.936 -0.159 0.00 0.00 +0.054 A ENDROOT BRANCH 1 11 ATOM 9 N LIG 1 -1.749 -0.125 -0.762 0.00 0.00 -0.307 N ATOM 10 H LIG 1 -1.842 0.313 0.144 0.00 0.00 +0.149 HD ATOM 11 C LIG 1 -0.532 -0.140 -1.403 0.00 0.00 +0.244 C ATOM 12 O LIG 1 -0.277 -0.878 -2.347 0.00 0.00 -0.270 OA BRANCH 9 13 ATOM 13 C LIG 1 -2.790 -1.050 -1.149 0.00 0.00 +0.139 C BRANCH 13 17 ATOM 14 C LIG 1 -6.969 1.718 -0.665 0.00 0.00 +0.044 C ATOM 15 C LIG 1 -6.089 0.600 -0.186 0.00 0.00 -0.050 A ATOM 16 C LIG 1 -4.914 0.280 -0.875 0.00 0.00 +0.008 A ATOM 17 C LIG 1 -4.068 -0.741 -0.418 0.00 0.00 -0.030 A ATOM 18 C LIG 1 -4.402 -1.429 0.757 0.00 0.00 +0.008 A ATOM 19 C LIG 1 -5.575 -1.122 1.458 0.00 0.00 -0.050 A ATOM 20 C LIG 1 -5.908 -1.841 2.732 0.00 0.00 +0.044 C ATOM 21 C LIG 1 -6.403 -0.095 0.988 0.00 0.00 +0.006 A ENDBRANCH 13 17 ENDBRANCH 9 13 ENDBRANCH 1 11 BRANCH 3 22 ATOM 22 C LIG 1 4.339 0.952 -0.923 0.00 0.00 +0.142 C BRANCH 22 23 ATOM 23 N LIG 1 4.762 -0.086 -0.002 0.00 0.00 -0.313 N ATOM 24 H LIG 1 4.104 -0.851 0.079 0.00 0.00 +0.149 HD BRANCH 23 25 ATOM 25 C LIG 1 6.041 -0.521 -0.030 0.00 0.00 +0.176 C ATOM 26 N LIG 1 6.266 -1.609 0.751 0.00 0.00 -0.316 N ATOM 27 H LIG 1 5.796 -1.559 1.647 0.00 0.00 +0.149 HD ATOM 28 C LIG 1 7.704 -1.772 0.834 0.00 0.00 +0.127 C ATOM 29 C LIG 1 8.180 -0.905 -0.336 0.00 0.00 +0.163 C ATOM 30 N LIG 1 7.042 -0.011 -0.681 0.00 0.00 -0.255 NA ENDBRANCH 23 25 ENDBRANCH 22 23 ENDBRANCH 3 22 TORSDOF 6