REMARK Name = BDB035878 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.036 0.755 2.492 0.00 0.00 +0.065 A ATOM 2 C LIG 1 -0.184 -0.319 1.911 0.00 0.00 +0.266 A ATOM 3 O LIG 1 -0.693 -1.204 1.218 0.00 0.00 -0.267 OA ATOM 4 N LIG 1 1.173 -0.249 2.217 0.00 0.00 -0.266 N ATOM 5 C LIG 1 1.654 0.746 3.071 0.00 0.00 +0.159 A ATOM 6 C LIG 1 3.127 0.705 3.366 0.00 0.00 +0.084 A ATOM 7 C LIG 1 3.902 -0.229 2.802 0.00 0.00 +0.030 A ATOM 8 C LIG 1 3.353 -1.209 1.891 0.00 0.00 -0.015 A ATOM 9 CL LIG 1 3.791 1.869 4.449 0.00 0.00 -0.080 Cl ATOM 10 N LIG 1 0.895 1.659 3.599 0.00 0.00 -0.235 NA ATOM 11 C LIG 1 2.029 -1.198 1.664 0.00 0.00 +0.101 A ATOM 12 C LIG 1 -0.431 1.650 3.281 0.00 0.00 +0.127 A ENDROOT BRANCH 1 15 ATOM 13 C LIG 1 -4.268 1.080 0.508 0.00 0.00 -0.033 A ATOM 14 C LIG 1 -2.903 1.048 0.875 0.00 0.00 +0.013 A ATOM 15 C LIG 1 -2.473 0.847 2.196 0.00 0.00 -0.011 A ATOM 16 C LIG 1 -3.427 0.709 3.206 0.00 0.00 +0.009 A ATOM 17 C LIG 1 -4.781 0.755 2.890 0.00 0.00 +0.001 A ATOM 18 C LIG 1 -5.189 0.931 1.564 0.00 0.00 +0.004 A BRANCH 13 22 ATOM 19 C LIG 1 -6.848 3.597 -2.558 0.00 0.00 +0.007 C ATOM 20 C LIG 1 -5.862 2.453 -2.434 0.00 0.00 -0.012 C ATOM 21 C LIG 1 -6.218 1.340 -1.419 0.00 0.00 +0.022 C ATOM 22 C LIG 1 -4.698 1.258 -1.034 0.00 0.00 +0.056 C ATOM 23 C LIG 1 -4.596 2.725 -1.588 0.00 0.00 +0.022 C BRANCH 22 24 ATOM 24 C LIG 1 -3.930 0.194 -1.943 0.00 0.00 +0.144 A ATOM 25 N LIG 1 -3.867 -1.162 -1.769 0.00 0.00 -0.320 N ATOM 26 C LIG 1 -4.480 -1.955 -0.740 0.00 0.00 +0.151 C ATOM 27 C LIG 1 -3.076 -1.633 -2.771 0.00 0.00 +0.224 A ATOM 28 N LIG 1 -2.685 -0.636 -3.529 0.00 0.00 -0.138 NA ATOM 29 N LIG 1 -3.219 0.517 -3.005 0.00 0.00 -0.134 NA ENDBRANCH 22 24 ENDBRANCH 13 22 ENDBRANCH 1 15 BRANCH 8 30 ATOM 30 C LIG 1 4.268 -2.261 1.297 0.00 0.00 +0.121 C BRANCH 30 31 ATOM 31 N LIG 1 5.087 -1.869 0.150 0.00 0.00 -0.298 NA ATOM 32 C LIG 1 6.121 -0.877 0.414 0.00 0.00 +0.088 C ATOM 33 C LIG 1 7.193 -0.911 -0.698 0.00 0.00 +0.000 C ATOM 34 C LIG 1 8.273 -1.957 -0.408 0.00 0.00 +0.009 C ATOM 35 C LIG 1 6.584 -1.158 -2.092 0.00 0.00 +0.006 C ATOM 36 C LIG 1 5.106 -0.793 -2.119 0.00 0.00 +0.016 C ATOM 37 C LIG 1 4.318 -1.588 -1.068 0.00 0.00 +0.085 C ENDBRANCH 30 31 ENDBRANCH 8 30 TORSDOF 5