REMARK Name = BDB011194 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.322 3.713 -2.069 0.00 0.00 +0.146 A ATOM 2 C LIG 1 -3.298 2.373 -1.630 0.00 0.00 +0.114 A ATOM 3 N LIG 1 -4.184 1.496 -2.140 0.00 0.00 -0.250 NA ATOM 4 C LIG 1 -4.235 0.246 -1.644 0.00 0.00 +0.127 A ATOM 5 C LIG 1 -3.349 -0.230 -0.699 0.00 0.00 +0.082 A ATOM 6 C LIG 1 -2.327 0.595 -0.262 0.00 0.00 +0.070 A ATOM 7 N LIG 1 -1.289 -0.027 0.511 0.00 0.00 -0.288 N ATOM 8 C LIG 1 -1.503 -1.256 1.159 0.00 0.00 +0.337 A ATOM 9 O LIG 1 -0.591 -1.786 1.799 0.00 0.00 -0.246 OA ATOM 10 N LIG 1 -2.748 -1.873 0.974 0.00 0.00 -0.228 N ATOM 11 C LIG 1 -3.533 -1.567 -0.135 0.00 0.00 +0.270 A ATOM 12 O LIG 1 -4.396 -2.267 -0.657 0.00 0.00 -0.266 OA ATOM 13 C LIG 1 -2.363 1.977 -0.638 0.00 0.00 +0.028 A ATOM 14 C LIG 1 -1.591 2.999 -0.032 0.00 0.00 +0.012 A ATOM 15 C LIG 1 -1.637 4.323 -0.461 0.00 0.00 +0.004 A ATOM 16 C LIG 1 -2.487 4.676 -1.497 0.00 0.00 +0.048 A ENDROOT BRANCH 7 17 ATOM 17 C LIG 1 0.114 0.411 0.323 0.00 0.00 +0.111 C ATOM 18 C LIG 1 1.046 -0.604 -0.372 0.00 0.00 +0.136 C ATOM 19 N LIG 1 2.376 -0.180 0.021 0.00 0.00 -0.265 N ATOM 20 C LIG 1 3.505 -0.654 -0.594 0.00 0.00 +0.403 C ATOM 21 O LIG 1 3.481 -1.454 -1.520 0.00 0.00 -0.226 OA ATOM 22 C LIG 1 2.346 0.758 1.127 0.00 0.00 +0.113 C ATOM 23 C LIG 1 0.896 0.763 1.600 0.00 0.00 +0.046 C BRANCH 20 24 ATOM 24 O LIG 1 4.627 -0.115 -0.056 0.00 0.00 -0.445 OA BRANCH 24 25 ATOM 25 C LIG 1 5.941 -0.482 -0.549 0.00 0.00 +0.107 C ATOM 26 C LIG 1 6.221 -1.974 -0.338 0.00 0.00 +0.055 C ATOM 27 C LIG 1 6.123 -0.065 -2.013 0.00 0.00 +0.055 C ATOM 28 C LIG 1 6.920 0.328 0.316 0.00 0.00 +0.055 C ENDBRANCH 24 25 ENDBRANCH 20 24 ENDBRANCH 7 17 BRANCH 10 29 ATOM 29 C LIG 1 -3.064 -3.024 1.805 0.00 0.00 +0.056 A ATOM 30 C LIG 1 -2.682 -3.034 3.161 0.00 0.00 +0.046 A ATOM 31 C LIG 1 -2.996 -4.110 3.996 0.00 0.00 +0.043 A ATOM 32 CL LIG 1 -2.518 -4.075 5.649 0.00 0.00 -0.083 Cl ATOM 33 C LIG 1 -3.701 -5.202 3.507 0.00 0.00 +0.020 A ATOM 34 C LIG 1 -4.094 -5.215 2.174 0.00 0.00 +0.003 A ATOM 35 C LIG 1 -3.782 -4.136 1.335 0.00 0.00 +0.026 A ENDBRANCH 10 29 BRANCH 1 37 ATOM 36 C LIG 1 -4.282 5.322 -3.572 0.00 0.00 +0.277 C ATOM 37 O LIG 1 -4.229 3.995 -3.069 0.00 0.00 -0.493 OA ENDBRANCH 1 37 TORSDOF 5