REMARK Name = BDB005335 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.008 -0.333 -0.578 0.00 0.00 +0.146 A ATOM 2 N LIG 1 1.210 0.603 0.085 0.00 0.00 -0.322 N ATOM 3 C LIG 1 -0.038 0.432 -0.425 0.00 0.00 +0.077 A ATOM 4 C LIG 1 -1.396 0.983 -0.270 0.00 0.00 +0.161 C ATOM 5 N LIG 1 -2.118 0.134 -1.260 0.00 0.00 -0.248 N ATOM 6 C LIG 1 -1.251 -0.742 -1.977 0.00 0.00 +0.272 C ATOM 7 O LIG 1 -1.495 -1.437 -2.950 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 0.044 -0.532 -1.376 0.00 0.00 +0.150 A ATOM 9 N LIG 1 1.310 -0.988 -1.505 0.00 0.00 -0.222 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.482 0.218 -1.498 0.00 0.00 +0.104 A ATOM 11 C LIG 1 -4.264 -1.057 -1.793 0.00 0.00 +0.273 A ATOM 12 O LIG 1 -3.777 -2.164 -1.570 0.00 0.00 -0.266 OA ATOM 13 N LIG 1 -5.584 -0.880 -2.223 0.00 0.00 -0.315 N ATOM 14 C LIG 1 -6.363 -2.059 -2.567 0.00 0.00 +0.152 C ATOM 15 C LIG 1 -6.223 0.345 -2.146 0.00 0.00 +0.108 A ATOM 16 C LIG 1 -5.576 1.437 -1.727 0.00 0.00 +0.059 A ATOM 17 CL LIG 1 -6.375 2.956 -1.603 0.00 0.00 -0.082 Cl ATOM 18 C LIG 1 -4.171 1.370 -1.409 0.00 0.00 +0.050 A ENDBRANCH 5 10 BRANCH 4 19 ATOM 19 C LIG 1 -1.941 0.859 1.141 0.00 0.00 -0.021 A ATOM 20 C LIG 1 -2.219 2.016 1.888 0.00 0.00 +0.007 A ATOM 21 C LIG 1 -2.710 1.920 3.193 0.00 0.00 +0.020 A ATOM 22 C LIG 1 -2.927 0.667 3.762 0.00 0.00 +0.041 A ATOM 23 CL LIG 1 -3.530 0.554 5.369 0.00 0.00 -0.084 Cl ATOM 24 C LIG 1 -2.659 -0.491 3.039 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -2.167 -0.396 1.735 0.00 0.00 +0.007 A ENDBRANCH 4 19 BRANCH 1 27 ATOM 26 C LIG 1 3.863 -1.361 0.738 0.00 0.00 +0.149 A ATOM 27 C LIG 1 3.425 -0.585 -0.334 0.00 0.00 +0.062 A ATOM 28 C LIG 1 4.372 -0.095 -1.241 0.00 0.00 +0.039 A ATOM 29 C LIG 1 5.727 -0.332 -1.007 0.00 0.00 +0.056 A ATOM 30 N LIG 1 6.163 -1.023 0.075 0.00 0.00 -0.255 NA ATOM 31 C LIG 1 5.227 -1.527 0.914 0.00 0.00 +0.157 A BRANCH 26 33 ATOM 32 C LIG 1 2.586 -3.206 1.210 0.00 0.00 +0.277 C ATOM 33 O LIG 1 2.996 -1.906 1.645 0.00 0.00 -0.493 OA ENDBRANCH 26 33 BRANCH 29 34 ATOM 34 C LIG 1 6.779 0.194 -1.951 0.00 0.00 +0.173 C BRANCH 34 35 ATOM 35 C LIG 1 6.804 -0.528 -3.228 0.00 0.00 +0.069 C ATOM 36 N LIG 1 6.834 -1.064 -4.257 0.00 0.00 -0.196 NA ENDBRANCH 34 35 ENDBRANCH 29 34 ENDBRANCH 1 27 BRANCH 2 37 ATOM 37 C LIG 1 1.573 1.610 1.076 0.00 0.00 +0.083 C ATOM 38 C LIG 1 1.746 1.034 2.479 0.00 0.00 +0.030 C ATOM 39 C LIG 1 2.759 2.485 0.671 0.00 0.00 +0.030 C ENDBRANCH 2 37 TORSDOF 7