REMARK Name = BDB005336 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.651 0.999 -0.316 0.00 0.00 +0.146 A ATOM 2 N LIG 1 0.758 -0.082 -0.426 0.00 0.00 -0.322 N ATOM 3 C LIG 1 -0.484 0.477 -0.399 0.00 0.00 +0.077 A ATOM 4 C LIG 1 -1.914 0.094 -0.471 0.00 0.00 +0.161 C ATOM 5 N LIG 1 -2.528 1.459 -0.536 0.00 0.00 -0.250 N ATOM 6 C LIG 1 -1.575 2.503 -0.390 0.00 0.00 +0.272 C ATOM 7 O LIG 1 -1.762 3.705 -0.293 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 -0.305 1.825 -0.334 0.00 0.00 +0.150 A ATOM 9 N LIG 1 1.002 2.159 -0.287 0.00 0.00 -0.222 NA ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 3.844 0.215 0.772 0.00 0.00 +0.147 A ATOM 11 C LIG 1 3.068 0.802 -0.320 0.00 0.00 +0.066 A ATOM 12 C LIG 1 3.710 1.266 -1.408 0.00 0.00 +0.085 A ATOM 13 C LIG 1 5.180 1.142 -1.549 0.00 0.00 +0.252 A ATOM 14 O LIG 1 5.718 1.538 -2.579 0.00 0.00 -0.268 OA ATOM 15 N LIG 1 5.846 0.555 -0.479 0.00 0.00 -0.315 N ATOM 16 C LIG 1 7.294 0.419 -0.532 0.00 0.00 +0.152 C ATOM 17 C LIG 1 5.181 0.117 0.653 0.00 0.00 +0.135 A BRANCH 10 19 ATOM 18 C LIG 1 3.771 -0.623 3.018 0.00 0.00 +0.277 C ATOM 19 O LIG 1 3.088 -0.175 1.853 0.00 0.00 -0.493 OA ENDBRANCH 10 19 ENDBRANCH 1 11 BRANCH 5 20 ATOM 20 C LIG 1 -3.852 1.679 -1.019 0.00 0.00 +0.074 A ATOM 21 C LIG 1 -4.148 2.733 -1.903 0.00 0.00 +0.163 A ATOM 22 F LIG 1 -3.159 3.483 -2.414 0.00 0.00 -0.202 F ATOM 23 C LIG 1 -5.451 2.949 -2.361 0.00 0.00 +0.078 A ATOM 24 CL LIG 1 -5.796 4.228 -3.463 0.00 0.00 -0.081 Cl ATOM 25 C LIG 1 -6.486 2.113 -1.953 0.00 0.00 +0.023 A ATOM 26 C LIG 1 -6.210 1.051 -1.096 0.00 0.00 +0.003 A ATOM 27 C LIG 1 -4.904 0.834 -0.640 0.00 0.00 +0.026 A ENDBRANCH 5 20 BRANCH 4 28 ATOM 28 C LIG 1 -2.367 -0.722 0.726 0.00 0.00 -0.021 A ATOM 29 C LIG 1 -2.258 -0.234 2.041 0.00 0.00 +0.007 A ATOM 30 C LIG 1 -2.683 -1.004 3.126 0.00 0.00 +0.020 A ATOM 31 C LIG 1 -3.223 -2.268 2.910 0.00 0.00 +0.041 A ATOM 32 CL LIG 1 -3.743 -3.217 4.246 0.00 0.00 -0.084 Cl ATOM 33 C LIG 1 -3.343 -2.771 1.617 0.00 0.00 +0.020 A ATOM 34 C LIG 1 -2.918 -2.003 0.529 0.00 0.00 +0.007 A ENDBRANCH 4 28 BRANCH 2 35 ATOM 35 C LIG 1 1.112 -1.482 -0.646 0.00 0.00 +0.083 C ATOM 36 C LIG 1 0.460 -2.062 -1.903 0.00 0.00 +0.030 C ATOM 37 C LIG 1 0.846 -2.362 0.574 0.00 0.00 +0.030 C ENDBRANCH 2 35 TORSDOF 5