REMARK Name = BDB019134 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.226 -1.871 -0.079 0.00 0.00 +0.028 A ATOM 2 C LIG 1 -0.966 -0.470 -0.111 0.00 0.00 +0.090 A ATOM 3 N LIG 1 0.369 -0.107 -0.149 0.00 0.00 -0.270 N ATOM 4 C LIG 1 0.419 1.253 -0.286 0.00 0.00 +0.207 A ATOM 5 N LIG 1 -0.776 1.797 -0.251 0.00 0.00 -0.230 NA ATOM 6 C LIG 1 1.427 -1.033 -0.093 0.00 0.00 +0.202 A ATOM 7 N LIG 1 1.172 -2.312 -0.062 0.00 0.00 -0.223 NA ATOM 8 C LIG 1 -1.665 0.728 -0.119 0.00 0.00 +0.151 A ATOM 9 C LIG 1 -0.153 -2.695 -0.061 0.00 0.00 +0.125 A ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 -2.626 -2.479 -2.654 0.00 0.00 +0.066 C ATOM 11 C LIG 1 -3.205 -2.841 -1.316 0.00 0.00 +0.046 A ATOM 12 C LIG 1 -2.546 -2.526 -0.117 0.00 0.00 +0.007 A ATOM 13 C LIG 1 -3.164 -2.896 1.084 0.00 0.00 +0.012 A ATOM 14 C LIG 1 -4.395 -3.541 1.061 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -4.967 -3.812 -0.169 0.00 0.00 +0.111 A ATOM 16 N LIG 1 -4.399 -3.491 -1.350 0.00 0.00 -0.260 NA ENDBRANCH 1 12 BRANCH 8 17 ATOM 17 C LIG 1 -3.108 0.974 -0.024 0.00 0.00 +0.265 C ATOM 18 N LIG 1 -3.413 2.307 -0.216 0.00 0.00 -0.303 N ATOM 19 H LIG 1 -2.592 2.890 -0.373 0.00 0.00 +0.150 HD ATOM 20 O LIG 1 -3.940 0.111 0.216 0.00 0.00 -0.268 OA BRANCH 18 21 ATOM 21 C LIG 1 -4.757 2.905 -0.167 0.00 0.00 +0.124 C ATOM 22 C LIG 1 -5.889 2.229 -0.952 0.00 0.00 +0.184 C ATOM 23 O LIG 1 -6.788 2.380 0.184 0.00 0.00 -0.376 OA ATOM 24 C LIG 1 -5.640 2.604 1.051 0.00 0.00 +0.184 C ENDBRANCH 18 21 ENDBRANCH 8 17 BRANCH 6 25 ATOM 25 N LIG 1 2.740 -0.612 -0.089 0.00 0.00 -0.310 N ATOM 26 H LIG 1 3.309 -1.442 -0.266 0.00 0.00 +0.149 HD BRANCH 25 27 ATOM 27 C LIG 1 3.271 0.024 1.118 0.00 0.00 +0.143 C BRANCH 27 28 ATOM 28 C LIG 1 4.746 0.264 0.969 0.00 0.00 +0.012 A ATOM 29 C LIG 1 5.285 1.078 -0.025 0.00 0.00 +0.005 A ATOM 30 C LIG 1 4.622 1.799 -1.138 0.00 0.00 +0.080 C ATOM 31 C LIG 1 5.785 2.679 -1.596 0.00 0.00 +0.234 C ATOM 32 O LIG 1 7.028 2.075 -1.173 0.00 0.00 -0.491 OA ATOM 33 C LIG 1 6.658 1.264 -0.132 0.00 0.00 +0.124 A ATOM 34 C LIG 1 7.554 0.664 0.729 0.00 0.00 +0.049 A ATOM 35 C LIG 1 7.039 -0.141 1.743 0.00 0.00 +0.042 A ATOM 36 C LIG 1 5.655 -0.331 1.856 0.00 0.00 +0.129 A ATOM 37 F LIG 1 5.200 -1.114 2.844 0.00 0.00 -0.205 F ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 6 25 TORSDOF 6