REMARK Name = BDB059432 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.858 0.304 -1.687 0.00 0.00 +0.231 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 -3.148 0.157 -1.007 0.00 0.00 -0.291 N ATOM 3 C LIG 1 -3.397 -0.574 0.124 0.00 0.00 +0.170 A ATOM 4 C LIG 1 -4.744 -0.389 0.384 0.00 0.00 +0.147 A ATOM 5 C LIG 1 -5.266 -1.060 1.501 0.00 0.00 +0.150 A ATOM 6 N LIG 1 -4.431 -1.808 2.255 0.00 0.00 -0.185 NA ATOM 7 C LIG 1 -3.136 -1.898 1.888 0.00 0.00 +0.313 A ATOM 8 F LIG 1 -2.346 -2.644 2.676 0.00 0.00 -0.161 F ATOM 9 N LIG 1 -5.302 0.468 -0.538 0.00 0.00 -0.231 NA ATOM 10 N LIG 1 -2.526 -1.306 0.835 0.00 0.00 -0.182 NA ATOM 11 C LIG 1 -4.315 0.793 -1.346 0.00 0.00 +0.203 A BRANCH 5 12 ATOM 12 N LIG 1 -6.598 -0.977 1.879 0.00 0.00 -0.341 N ATOM 13 H LIG 1 -6.758 -1.218 2.848 0.00 0.00 +0.144 HD ATOM 14 H LIG 1 -7.098 -0.183 1.495 0.00 0.00 +0.144 HD ENDBRANCH 5 12 ENDBRANCH 1 2 BRANCH 1 16 ATOM 15 C LIG 1 0.235 1.337 -0.847 0.00 0.00 +0.402 C ATOM 16 N LIG 1 -0.759 0.427 -0.722 0.00 0.00 -0.257 N ATOM 17 H LIG 1 -0.677 -0.264 0.019 0.00 0.00 +0.154 HD ATOM 18 O LIG 1 0.281 2.200 -1.708 0.00 0.00 -0.226 OA BRANCH 15 19 ATOM 19 O LIG 1 1.153 1.135 0.123 0.00 0.00 -0.449 OA BRANCH 19 20 ATOM 20 C LIG 1 2.285 2.018 0.064 0.00 0.00 +0.255 C BRANCH 20 21 ATOM 21 C LIG 1 3.281 1.616 1.150 0.00 0.00 +0.166 C BRANCH 21 24 ATOM 22 C LIG 1 2.526 -1.146 2.257 0.00 0.00 +0.086 C ATOM 23 C LIG 1 3.664 -0.871 1.340 0.00 0.00 +0.108 A ATOM 24 N LIG 1 3.990 0.382 0.840 0.00 0.00 -0.306 N ATOM 25 C LIG 1 5.109 0.206 0.060 0.00 0.00 +0.216 A ATOM 26 C LIG 1 5.407 -1.131 0.109 0.00 0.00 +0.164 A ATOM 27 N LIG 1 4.505 -1.788 0.900 0.00 0.00 -0.239 NA BRANCH 25 28 ATOM 28 N LIG 1 5.811 1.219 -0.651 0.00 0.00 +0.075 N ATOM 29 O LIG 1 5.313 2.349 -0.688 0.00 0.00 -0.125 OA ATOM 30 O LIG 1 6.874 0.883 -1.186 0.00 0.00 -0.125 OA ENDBRANCH 25 28 ENDBRANCH 21 24 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 15 19 ENDBRANCH 1 16 BRANCH 1 31 ATOM 31 C LIG 1 -1.618 -0.791 -2.791 0.00 0.00 +0.227 C ATOM 32 CL LIG 1 -0.109 -0.453 -3.725 0.00 0.00 -0.079 Cl ATOM 33 CL LIG 1 -2.960 -0.835 -3.993 0.00 0.00 -0.079 Cl ATOM 34 CL LIG 1 -1.440 -2.439 -2.093 0.00 0.00 -0.079 Cl ENDBRANCH 1 31 TORSDOF 9