REMARK Name = BDB019149 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.394 -0.531 1.628 0.00 0.00 +0.252 C ATOM 2 C LIG 1 -1.361 -2.014 1.238 0.00 0.00 +0.195 C ATOM 3 C LIG 1 -0.158 -2.106 0.317 0.00 0.00 +0.179 C ATOM 4 C LIG 1 0.744 -0.993 0.846 0.00 0.00 +0.185 C ATOM 5 O LIG 1 -0.132 0.071 1.261 0.00 0.00 -0.345 OA ENDROOT BRANCH 4 6 ATOM 6 C LIG 1 1.744 -0.523 -0.216 0.00 0.00 +0.180 C ATOM 7 C LIG 1 2.858 0.331 0.297 0.00 0.00 -0.011 A ATOM 8 C LIG 1 4.063 -0.139 -0.212 0.00 0.00 -0.015 A ATOM 9 C LIG 1 5.263 0.490 0.077 0.00 0.00 +0.026 A ATOM 10 C LIG 1 5.231 1.613 0.905 0.00 0.00 +0.041 A ATOM 11 C LIG 1 4.019 2.095 1.420 0.00 0.00 +0.020 A ATOM 12 CL LIG 1 6.700 2.422 1.293 0.00 0.00 -0.084 Cl ATOM 13 C LIG 1 3.807 -1.319 -1.073 0.00 0.00 +0.196 C ATOM 14 C LIG 1 2.817 1.453 1.110 0.00 0.00 +0.008 A ATOM 15 O LIG 1 2.438 -1.683 -0.771 0.00 0.00 -0.365 OA ENDBRANCH 4 6 BRANCH 1 20 ATOM 16 C LIG 1 -4.202 1.576 -1.757 0.00 0.00 +0.129 A ATOM 17 C LIG 1 -3.818 1.242 -0.451 0.00 0.00 +0.058 A ATOM 18 C LIG 1 -4.307 1.501 0.859 0.00 0.00 +0.033 A ATOM 19 C LIG 1 -3.463 0.875 1.750 0.00 0.00 +0.091 A ATOM 20 N LIG 1 -2.474 0.239 1.030 0.00 0.00 -0.303 N ATOM 21 C LIG 1 -2.683 0.451 -0.312 0.00 0.00 +0.148 A ATOM 22 N LIG 1 -1.927 -0.026 -1.316 0.00 0.00 -0.218 NA ATOM 23 C LIG 1 -2.391 0.361 -2.516 0.00 0.00 +0.225 A ATOM 24 N LIG 1 -3.464 1.126 -2.789 0.00 0.00 -0.220 NA BRANCH 16 25 ATOM 25 N LIG 1 -5.301 2.368 -2.057 0.00 0.00 -0.343 N ATOM 26 H LIG 1 -5.240 2.717 -3.006 0.00 0.00 +0.144 HD ATOM 27 H LIG 1 -5.545 3.042 -1.344 0.00 0.00 +0.144 HD ENDBRANCH 16 25 ENDBRANCH 1 20 BRANCH 2 28 ATOM 28 O LIG 1 -1.126 -2.832 2.402 0.00 0.00 -0.385 OA ATOM 29 H LIG 1 -0.629 -3.607 2.061 0.00 0.00 +0.210 HD ENDBRANCH 2 28 BRANCH 3 30 ATOM 30 O LIG 1 0.444 -3.399 0.390 0.00 0.00 -0.386 OA ATOM 31 H LIG 1 1.272 -3.332 -0.132 0.00 0.00 +0.210 HD ENDBRANCH 3 30 TORSDOF 5