REMARK Name = BDB016806 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.668 -0.405 -0.944 0.00 0.00 -0.320 N ATOM 2 C LIG 1 0.358 -0.420 -0.609 0.00 0.00 +0.130 A ATOM 3 C LIG 1 -0.863 -1.061 -0.949 0.00 0.00 +0.270 C ATOM 4 N LIG 1 -1.818 -0.551 -0.015 0.00 0.00 -0.252 N ATOM 5 C LIG 1 -1.190 0.469 0.905 0.00 0.00 +0.163 C ATOM 6 O LIG 1 -0.993 -1.882 -1.839 0.00 0.00 -0.268 OA ATOM 7 C LIG 1 0.210 0.433 0.431 0.00 0.00 +0.097 A ATOM 8 N LIG 1 1.395 0.958 0.822 0.00 0.00 -0.229 NA ATOM 9 C LIG 1 2.280 0.482 -0.057 0.00 0.00 +0.145 A ENDROOT BRANCH 4 10 ATOM 10 C LIG 1 -3.150 -0.954 0.118 0.00 0.00 +0.054 A ATOM 11 C LIG 1 -3.957 -0.477 1.089 0.00 0.00 +0.112 A ATOM 12 N LIG 1 -5.279 -0.868 1.232 0.00 0.00 -0.316 N ATOM 13 C LIG 1 -6.060 -0.281 2.311 0.00 0.00 +0.152 C ATOM 14 C LIG 1 -5.883 -1.791 0.385 0.00 0.00 +0.254 A ATOM 15 O LIG 1 -7.050 -2.163 0.485 0.00 0.00 -0.267 OA ATOM 16 C LIG 1 -5.012 -2.332 -0.703 0.00 0.00 +0.016 A ATOM 17 C LIG 1 -5.638 -3.319 -1.636 0.00 0.00 +0.049 C ATOM 18 C LIG 1 -3.737 -1.918 -0.799 0.00 0.00 +0.033 A ENDBRANCH 4 10 BRANCH 5 19 ATOM 19 C LIG 1 -1.650 1.903 0.714 0.00 0.00 -0.021 A ATOM 20 C LIG 1 -1.482 2.818 1.771 0.00 0.00 +0.007 A ATOM 21 C LIG 1 -1.893 4.148 1.641 0.00 0.00 +0.020 A ATOM 22 C LIG 1 -2.471 4.580 0.451 0.00 0.00 +0.041 A ATOM 23 CL LIG 1 -2.979 6.215 0.291 0.00 0.00 -0.084 Cl ATOM 24 C LIG 1 -2.639 3.696 -0.611 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -2.227 2.366 -0.483 0.00 0.00 +0.007 A ENDBRANCH 5 19 BRANCH 9 26 ATOM 26 C LIG 1 3.704 0.808 -0.024 0.00 0.00 +0.059 A ATOM 27 C LIG 1 4.362 1.369 -1.114 0.00 0.00 +0.152 A ATOM 28 F LIG 1 3.719 1.623 -2.263 0.00 0.00 -0.203 F ATOM 29 C LIG 1 5.708 1.669 -1.001 0.00 0.00 +0.153 A ATOM 30 N LIG 1 6.436 1.454 0.118 0.00 0.00 -0.218 NA ATOM 31 C LIG 1 5.774 0.934 1.175 0.00 0.00 +0.215 A ATOM 32 C LIG 1 4.428 0.603 1.154 0.00 0.00 +0.081 A BRANCH 31 33 ATOM 33 O LIG 1 6.442 0.695 2.359 0.00 0.00 -0.480 OA ATOM 34 C LIG 1 7.808 1.094 2.321 0.00 0.00 +0.279 C ENDBRANCH 31 33 ENDBRANCH 9 26 BRANCH 1 35 ATOM 35 C LIG 1 2.283 -1.243 -1.955 0.00 0.00 +0.124 C BRANCH 35 37 ATOM 36 C LIG 1 3.425 -3.429 -2.453 0.00 0.00 +0.005 C ATOM 37 C LIG 1 2.792 -2.561 -1.378 0.00 0.00 +0.018 C ENDBRANCH 35 37 ENDBRANCH 1 35 TORSDOF 6