REMARK Name = BDB013292 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.748 -0.307 -0.641 0.00 0.00 -0.280 N ATOM 2 C LIG 1 -0.622 0.163 -0.287 0.00 0.00 +0.114 C ATOM 3 C LIG 1 -1.373 -0.884 0.610 0.00 0.00 +0.045 C ATOM 4 C LIG 1 -1.025 -2.341 0.217 0.00 0.00 +0.023 C ATOM 5 C LIG 1 -0.380 -2.426 -1.171 0.00 0.00 +0.086 C ATOM 6 C LIG 1 0.904 -1.611 -1.120 0.00 0.00 +0.220 C ATOM 7 O LIG 1 1.982 -2.083 -1.472 0.00 0.00 -0.275 OA ENDROOT BRANCH 2 8 ATOM 8 C LIG 1 -0.756 1.589 0.246 0.00 0.00 -0.026 A ATOM 9 C LIG 1 -0.463 1.937 1.575 0.00 0.00 +0.007 A ATOM 10 C LIG 1 -0.617 3.251 2.027 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -1.081 4.234 1.159 0.00 0.00 +0.041 A ATOM 12 CL LIG 1 -1.272 5.849 1.717 0.00 0.00 -0.084 Cl ATOM 13 C LIG 1 -1.397 3.913 -0.157 0.00 0.00 +0.020 A ATOM 14 C LIG 1 -1.241 2.600 -0.607 0.00 0.00 +0.007 A ENDBRANCH 2 8 BRANCH 3 15 ATOM 15 C LIG 1 -2.882 -0.649 0.612 0.00 0.00 -0.041 A ATOM 16 C LIG 1 -3.492 -0.066 1.735 0.00 0.00 +0.024 A ATOM 17 C LIG 1 -4.866 0.181 1.750 0.00 0.00 +0.041 A ATOM 18 CL LIG 1 -5.588 0.902 3.136 0.00 0.00 -0.084 Cl ATOM 19 C LIG 1 -5.655 -0.151 0.653 0.00 0.00 +0.020 A ATOM 20 C LIG 1 -5.065 -0.734 -0.467 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -3.689 -0.979 -0.489 0.00 0.00 +0.004 A ENDBRANCH 3 15 BRANCH 1 22 ATOM 22 C LIG 1 1.985 0.508 -0.460 0.00 0.00 +0.185 C BRANCH 22 23 ATOM 23 C LIG 1 2.416 0.646 1.014 0.00 0.00 +0.328 C ATOM 24 O LIG 1 3.200 1.486 1.439 0.00 0.00 -0.249 OA BRANCH 23 25 ATOM 25 O LIG 1 1.893 -0.361 1.779 0.00 0.00 -0.464 OA BRANCH 25 27 ATOM 26 C LIG 1 1.629 -1.497 3.858 0.00 0.00 +0.048 C ATOM 27 C LIG 1 2.350 -0.377 3.136 0.00 0.00 +0.229 C ENDBRANCH 25 27 ENDBRANCH 23 25 ENDBRANCH 22 23 BRANCH 22 28 ATOM 28 C LIG 1 1.967 1.836 -1.243 0.00 0.00 +0.037 C BRANCH 28 29 ATOM 29 C LIG 1 3.201 2.124 -2.131 0.00 0.00 -0.015 C ATOM 30 C LIG 1 4.506 2.205 -1.344 0.00 0.00 +0.007 C ATOM 31 C LIG 1 3.328 1.127 -3.285 0.00 0.00 +0.007 C ENDBRANCH 28 29 ENDBRANCH 22 28 ENDBRANCH 1 22 BRANCH 5 32 ATOM 32 C LIG 1 -0.095 -3.878 -1.580 0.00 0.00 +0.133 C BRANCH 32 33 ATOM 33 C LIG 1 -1.338 -4.572 -2.079 0.00 0.00 +0.305 C ATOM 34 O LIG 1 -2.436 -4.051 -2.192 0.00 0.00 -0.251 OA BRANCH 33 35 ATOM 35 O LIG 1 -1.111 -5.864 -2.408 0.00 0.00 -0.481 OA ATOM 36 H LIG 1 -0.184 -6.146 -2.286 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 5 32 TORSDOF 11