REMARK Name = BDB014111 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.163 -0.635 -0.718 0.00 0.00 +0.110 A ATOM 2 C LIG 1 1.770 -0.541 -0.616 0.00 0.00 +0.088 A ATOM 3 C LIG 1 0.592 -1.188 -0.122 0.00 0.00 +0.256 C ATOM 4 N LIG 1 -0.495 -0.312 -0.453 0.00 0.00 -0.253 N ATOM 5 C LIG 1 -0.013 0.913 -1.187 0.00 0.00 +0.161 C ATOM 6 O LIG 1 0.575 -2.283 0.414 0.00 0.00 -0.269 OA ATOM 7 C LIG 1 1.422 0.617 -1.232 0.00 0.00 +0.077 A ATOM 8 N LIG 1 2.547 1.180 -1.706 0.00 0.00 -0.268 N ATOM 9 C LIG 1 2.705 2.426 -2.412 0.00 0.00 +0.172 C ATOM 10 N LIG 1 3.634 0.415 -1.438 0.00 0.00 -0.170 NA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -1.849 -0.569 -0.215 0.00 0.00 +0.055 A ATOM 12 C LIG 1 -2.837 0.187 -0.740 0.00 0.00 +0.118 A ATOM 13 N LIG 1 -4.170 -0.110 -0.468 0.00 0.00 -0.285 N ATOM 14 C LIG 1 -4.575 -1.166 0.324 0.00 0.00 +0.164 A ATOM 15 N LIG 1 -5.889 -1.193 0.382 0.00 0.00 -0.129 NA ATOM 16 N LIG 1 -6.367 -0.147 -0.371 0.00 0.00 -0.134 NA ATOM 17 C LIG 1 -3.568 -1.990 0.913 0.00 0.00 -0.004 A ATOM 18 C LIG 1 -3.905 -3.153 1.812 0.00 0.00 +0.047 C ATOM 19 C LIG 1 -5.336 0.502 -0.874 0.00 0.00 +0.135 A ATOM 20 C LIG 1 -5.393 1.702 -1.738 0.00 0.00 +0.088 C ATOM 21 C LIG 1 -2.273 -1.685 0.645 0.00 0.00 +0.032 A ENDBRANCH 4 11 BRANCH 5 22 ATOM 22 C LIG 1 -0.314 2.224 -0.481 0.00 0.00 -0.021 A ATOM 23 C LIG 1 -0.127 2.378 0.904 0.00 0.00 +0.007 A ATOM 24 C LIG 1 -0.398 3.598 1.530 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -0.852 4.677 0.776 0.00 0.00 +0.041 A ATOM 26 CL LIG 1 -1.185 6.179 1.544 0.00 0.00 -0.084 Cl ATOM 27 C LIG 1 -1.034 4.548 -0.599 0.00 0.00 +0.020 A ATOM 28 C LIG 1 -0.764 3.329 -1.226 0.00 0.00 +0.007 A ENDBRANCH 5 22 BRANCH 1 30 ATOM 29 C LIG 1 3.972 -2.159 1.099 0.00 0.00 +0.224 A ATOM 30 C LIG 1 4.059 -1.661 -0.204 0.00 0.00 +0.064 A ATOM 31 C LIG 1 5.062 -2.186 -1.027 0.00 0.00 +0.017 A ATOM 32 C LIG 1 5.913 -3.176 -0.544 0.00 0.00 +0.021 A ATOM 33 C LIG 1 5.738 -3.608 0.758 0.00 0.00 +0.114 A ATOM 34 N LIG 1 4.795 -3.121 1.592 0.00 0.00 -0.221 NA BRANCH 29 36 ATOM 35 C LIG 1 2.821 -2.362 3.126 0.00 0.00 +0.279 C ATOM 36 O LIG 1 3.054 -1.583 1.958 0.00 0.00 -0.479 OA ENDBRANCH 29 36 ENDBRANCH 1 30 TORSDOF 4