REMARK Name = BDB027011 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.686 0.911 0.961 0.00 0.00 +0.186 C ATOM 2 O LIG 1 -0.729 0.281 2.022 0.00 0.00 -0.290 OA ENDROOT BRANCH 1 7 ATOM 3 C LIG 1 4.247 -1.177 0.243 0.00 0.00 +0.040 A ATOM 4 C LIG 1 3.887 -0.234 -0.736 0.00 0.00 +0.039 A ATOM 5 C LIG 1 2.625 0.374 -0.649 0.00 0.00 +0.048 A ATOM 6 C LIG 1 1.712 0.085 0.364 0.00 0.00 +0.010 A ATOM 7 C LIG 1 0.537 0.884 0.138 0.00 0.00 +0.044 A ATOM 8 C LIG 1 0.787 1.623 -1.007 0.00 0.00 +0.095 A ATOM 9 C LIG 1 2.085 -0.862 1.340 0.00 0.00 +0.011 A ATOM 10 N LIG 1 2.042 1.314 -1.463 0.00 0.00 -0.360 N ATOM 11 H LIG 1 2.483 1.719 -2.278 0.00 0.00 +0.165 HD ATOM 12 C LIG 1 3.342 -1.479 1.268 0.00 0.00 +0.014 A BRANCH 3 16 ATOM 13 C LIG 1 8.637 -2.226 -1.431 0.00 0.00 +0.111 C ATOM 14 C LIG 1 7.482 -2.312 -0.523 0.00 0.00 +0.215 A ATOM 15 O LIG 1 6.404 -1.518 -0.805 0.00 0.00 -0.421 OA ATOM 16 C LIG 1 5.543 -1.847 0.214 0.00 0.00 +0.248 A ATOM 17 N LIG 1 6.052 -2.750 1.029 0.00 0.00 -0.107 NA ATOM 18 N LIG 1 7.311 -3.052 0.550 0.00 0.00 -0.112 NA ENDBRANCH 3 16 ENDBRANCH 1 7 BRANCH 1 19 ATOM 19 C LIG 1 -1.899 1.746 0.453 0.00 0.00 +0.156 C BRANCH 19 20 ATOM 20 C LIG 1 -1.739 3.218 0.826 0.00 0.00 -0.023 A ATOM 21 C LIG 1 -1.477 3.606 2.150 0.00 0.00 +0.005 A ATOM 22 C LIG 1 -1.345 4.955 2.482 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -1.485 5.933 1.499 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -1.764 5.564 0.185 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -1.895 4.215 -0.151 0.00 0.00 +0.005 A ENDBRANCH 19 20 BRANCH 19 26 ATOM 26 N LIG 1 -3.190 1.244 0.997 0.00 0.00 -0.303 NA ATOM 27 H LIG 1 -3.851 2.022 1.002 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.780 0.150 0.216 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C LIG 1 -3.054 -1.198 0.333 0.00 0.00 +0.050 C BRANCH 29 30 ATOM 30 C LIG 1 -3.807 -2.294 -0.388 0.00 0.00 -0.046 A ATOM 31 C LIG 1 -3.538 -2.575 -1.735 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -4.248 -3.575 -2.403 0.00 0.00 +0.020 A ATOM 33 C LIG 1 -5.233 -4.293 -1.729 0.00 0.00 +0.041 A ATOM 34 CL LIG 1 -6.110 -5.523 -2.555 0.00 0.00 -0.084 Cl ATOM 35 C LIG 1 -5.514 -4.022 -0.392 0.00 0.00 +0.020 A ATOM 36 C LIG 1 -4.803 -3.023 0.277 0.00 0.00 +0.005 A ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 19 26 ENDBRANCH 1 19 TORSDOF 8