REMARK Name = BDB011928 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.115 0.719 -0.511 0.00 0.00 +0.237 C ATOM 2 N LIG 1 -0.349 0.861 0.800 0.00 0.00 -0.284 N ATOM 3 C LIG 1 -1.697 0.364 1.125 0.00 0.00 +0.167 C ATOM 4 C LIG 1 -2.766 1.306 0.559 0.00 0.00 +0.067 C ATOM 5 C LIG 1 -2.435 2.751 0.894 0.00 0.00 -0.040 A ATOM 6 C LIG 1 -1.140 3.121 1.332 0.00 0.00 -0.027 A ATOM 7 C LIG 1 -0.873 4.466 1.625 0.00 0.00 +0.005 A ATOM 8 C LIG 1 -1.863 5.435 1.460 0.00 0.00 +0.000 A ATOM 9 C LIG 1 -3.130 5.072 1.008 0.00 0.00 +0.000 A ATOM 10 C LIG 1 -3.416 3.737 0.724 0.00 0.00 +0.004 A ATOM 11 C LIG 1 -0.047 2.083 1.544 0.00 0.00 +0.144 C ATOM 12 O LIG 1 -0.581 0.168 -1.372 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 13 ATOM 13 C LIG 1 -1.935 -1.145 0.884 0.00 0.00 +0.238 C ATOM 14 N LIG 1 -2.351 -1.471 -0.391 0.00 0.00 -0.279 N ATOM 15 H LIG 1 -1.964 -0.868 -1.125 0.00 0.00 +0.155 HD ATOM 16 O LIG 1 -1.653 -1.968 1.755 0.00 0.00 -0.273 OA BRANCH 14 17 ATOM 17 C LIG 1 -2.767 -2.756 -0.809 0.00 0.00 +0.105 A ATOM 18 C LIG 1 -3.403 -3.686 0.018 0.00 0.00 +0.147 A ATOM 19 F LIG 1 -3.739 -3.382 1.280 0.00 0.00 -0.203 F ATOM 20 C LIG 1 -3.789 -4.937 -0.469 0.00 0.00 +0.040 A ATOM 21 C LIG 1 -3.561 -5.272 -1.803 0.00 0.00 +0.006 A ATOM 22 C LIG 1 -2.960 -4.344 -2.651 0.00 0.00 +0.040 A ATOM 23 C LIG 1 -2.579 -3.099 -2.152 0.00 0.00 +0.147 A ATOM 24 F LIG 1 -2.005 -2.221 -2.990 0.00 0.00 -0.203 F ENDBRANCH 14 17 ENDBRANCH 3 13 BRANCH 1 25 ATOM 25 C LIG 1 1.604 1.055 -0.804 0.00 0.00 +0.162 C BRANCH 25 27 ATOM 26 C LIG 1 2.841 -0.174 0.956 0.00 0.00 +0.230 C ATOM 27 N LIG 1 2.333 -0.122 -0.327 0.00 0.00 -0.302 N ATOM 28 H LIG 1 2.127 -1.001 -0.787 0.00 0.00 +0.150 HD ATOM 29 O LIG 1 2.868 0.804 1.703 0.00 0.00 -0.274 OA BRANCH 26 30 ATOM 30 C LIG 1 3.320 -1.579 1.392 0.00 0.00 +0.137 C ATOM 31 C LIG 1 2.128 -2.297 2.026 0.00 0.00 +0.034 C BRANCH 30 33 ATOM 32 C LIG 1 4.979 -2.661 2.841 0.00 0.00 +0.101 C ATOM 33 N LIG 1 4.487 -1.417 2.278 0.00 0.00 -0.309 NA ATOM 34 H LIG 1 4.240 -0.759 3.022 0.00 0.00 +0.122 HD ENDBRANCH 30 33 ENDBRANCH 26 30 ENDBRANCH 25 27 BRANCH 25 35 ATOM 35 C LIG 1 1.855 1.283 -2.315 0.00 0.00 +0.012 C ATOM 36 C LIG 1 1.113 2.530 -2.809 0.00 0.00 +0.009 C ATOM 37 C LIG 1 3.351 1.443 -2.615 0.00 0.00 +0.009 C ENDBRANCH 25 35 ENDBRANCH 1 25 TORSDOF 7