REMARK Name = BDB060415 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.577 0.458 -1.322 0.00 0.00 +0.197 C ATOM 2 O LIG 1 -0.283 1.360 -2.101 0.00 0.00 -0.287 OA ENDROOT BRANCH 1 9 ATOM 3 N LIG 1 -3.785 1.127 0.291 0.00 0.00 -0.323 N ATOM 4 C LIG 1 -3.156 0.471 1.333 0.00 0.00 +0.147 A ATOM 5 C LIG 1 -1.878 0.114 0.923 0.00 0.00 +0.048 A ATOM 6 C LIG 1 -1.096 -0.531 1.880 0.00 0.00 +0.126 A ATOM 7 N LIG 1 -1.605 -0.790 3.104 0.00 0.00 -0.222 NA ATOM 8 C LIG 1 -2.865 -0.422 3.368 0.00 0.00 +0.214 A ATOM 9 C LIG 1 -1.720 0.558 -0.422 0.00 0.00 +0.051 A ATOM 10 N LIG 1 -3.687 0.229 2.543 0.00 0.00 -0.197 NA ATOM 11 C LIG 1 -2.899 1.203 -0.758 0.00 0.00 +0.100 A BRANCH 3 13 ATOM 12 C LIG 1 -5.238 2.793 1.393 0.00 0.00 +0.036 C ATOM 13 C LIG 1 -5.162 1.674 0.331 0.00 0.00 +0.064 C ATOM 14 C LIG 1 -6.172 0.557 0.676 0.00 0.00 +0.036 C BRANCH 13 15 ATOM 15 C LIG 1 -5.604 2.320 -1.020 0.00 0.00 +0.183 C BRANCH 15 16 ATOM 16 O LIG 1 -5.719 1.384 -2.090 0.00 0.00 -0.393 OA ATOM 17 H LIG 1 -6.509 0.839 -1.937 0.00 0.00 +0.209 HD ENDBRANCH 15 16 ENDBRANCH 13 15 ENDBRANCH 3 13 BRANCH 8 18 ATOM 18 N LIG 1 -3.334 -0.697 4.637 0.00 0.00 -0.327 N ATOM 19 H LIG 1 -2.551 -0.802 5.267 0.00 0.00 +0.145 HD ATOM 20 H LIG 1 -4.048 -0.030 4.889 0.00 0.00 +0.145 HD ENDBRANCH 8 18 ENDBRANCH 1 9 BRANCH 1 21 ATOM 21 C LIG 1 0.264 -0.756 -1.311 0.00 0.00 +0.042 A ATOM 22 C LIG 1 1.637 -0.647 -1.561 0.00 0.00 +0.038 A ATOM 23 C LIG 1 2.439 -1.789 -1.561 0.00 0.00 +0.052 A ATOM 24 C LIG 1 1.812 -3.009 -1.318 0.00 0.00 +0.134 A ATOM 25 N LIG 1 0.477 -3.147 -1.094 0.00 0.00 -0.261 NA ATOM 26 C LIG 1 -0.269 -2.020 -1.110 0.00 0.00 +0.122 A BRANCH 23 27 ATOM 27 N LIG 1 3.813 -1.620 -1.811 0.00 0.00 -0.284 N ATOM 28 H LIG 1 4.143 -0.666 -1.967 0.00 0.00 +0.155 HD ATOM 29 C LIG 1 4.798 -2.592 -1.777 0.00 0.00 +0.223 C ATOM 30 O LIG 1 4.624 -3.779 -1.517 0.00 0.00 -0.275 OA BRANCH 29 31 ATOM 31 C LIG 1 6.172 -2.070 -2.154 0.00 0.00 +0.151 C BRANCH 31 32 ATOM 32 C LIG 1 6.591 -0.899 -1.305 0.00 0.00 +0.050 A ATOM 33 N LIG 1 6.009 0.297 -1.594 0.00 0.00 -0.258 NA ATOM 34 C LIG 1 6.372 1.360 -0.830 0.00 0.00 +0.131 A ATOM 35 C LIG 1 7.274 1.284 0.218 0.00 0.00 +0.059 A ATOM 36 CL LIG 1 7.676 2.674 1.139 0.00 0.00 -0.082 Cl ATOM 37 C LIG 1 7.844 0.051 0.509 0.00 0.00 +0.023 A ATOM 38 C LIG 1 7.499 -1.059 -0.261 0.00 0.00 +0.025 A ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 23 27 ENDBRANCH 1 21 TORSDOF 9