REMARK Name = BDB007193 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.652 -0.285 0.054 0.00 0.00 +0.163 A ATOM 2 C LIG 1 3.960 -1.226 1.050 0.00 0.00 +0.162 A ATOM 3 C LIG 1 2.932 -2.028 1.556 0.00 0.00 +0.053 A ATOM 4 C LIG 1 1.623 -1.899 1.067 0.00 0.00 -0.030 A ATOM 5 C LIG 1 0.502 -2.776 1.557 0.00 0.00 +0.132 C ATOM 6 C LIG 1 -0.851 -2.074 1.578 0.00 0.00 +0.225 C ATOM 7 N LIG 1 -1.053 -1.070 0.615 0.00 0.00 -0.260 N ATOM 8 C LIG 1 -0.081 -0.932 -0.501 0.00 0.00 +0.142 C ATOM 9 O LIG 1 -1.662 -2.405 2.446 0.00 0.00 -0.275 OA ATOM 10 C LIG 1 1.337 -0.984 0.045 0.00 0.00 -0.015 A ATOM 11 C LIG 1 2.361 -0.183 -0.468 0.00 0.00 +0.055 A ENDROOT BRANCH 8 12 ATOM 12 C LIG 1 -0.381 -1.931 -1.635 0.00 0.00 -0.022 A ATOM 13 C LIG 1 -1.594 -1.817 -2.344 0.00 0.00 +0.007 A ATOM 14 C LIG 1 -1.915 -2.696 -3.383 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -1.023 -3.700 -3.739 0.00 0.00 +0.041 A ATOM 16 CL LIG 1 -1.414 -4.783 -5.016 0.00 0.00 -0.084 Cl ATOM 17 C LIG 1 0.188 -3.829 -3.067 0.00 0.00 +0.020 A ATOM 18 C LIG 1 0.509 -2.949 -2.026 0.00 0.00 +0.007 A ENDBRANCH 8 12 BRANCH 7 19 ATOM 19 C LIG 1 -2.239 -0.255 0.613 0.00 0.00 +0.037 A ATOM 20 C LIG 1 -3.467 -0.739 1.073 0.00 0.00 +0.025 A ATOM 21 C LIG 1 -4.626 0.055 1.049 0.00 0.00 +0.025 A ATOM 22 C LIG 1 -4.604 1.367 0.565 0.00 0.00 +0.036 A ATOM 23 C LIG 1 -3.376 1.856 0.114 0.00 0.00 +0.025 A ATOM 24 C LIG 1 -2.216 1.062 0.139 0.00 0.00 +0.025 A BRANCH 22 25 ATOM 25 N LIG 1 -5.783 2.160 0.547 0.00 0.00 -0.271 N ATOM 26 C LIG 1 -5.944 3.400 -0.092 0.00 0.00 +0.220 C ATOM 27 O LIG 1 -5.133 4.059 -0.723 0.00 0.00 -0.275 OA ATOM 28 C LIG 1 -7.390 3.811 0.062 0.00 0.00 +0.098 C ATOM 29 C LIG 1 -7.868 2.964 1.224 0.00 0.00 +0.029 C ATOM 30 C LIG 1 -7.037 1.704 1.101 0.00 0.00 +0.114 C ENDBRANCH 22 25 ENDBRANCH 7 19 BRANCH 2 31 ATOM 31 O LIG 1 5.270 -1.291 1.445 0.00 0.00 -0.491 OA ATOM 32 C LIG 1 5.620 -2.282 2.400 0.00 0.00 +0.277 C ENDBRANCH 2 31 BRANCH 1 33 ATOM 33 O LIG 1 4.605 0.515 -0.526 0.00 0.00 -0.485 OA BRANCH 33 34 ATOM 34 C LIG 1 5.093 1.533 0.364 0.00 0.00 +0.170 C ATOM 35 C LIG 1 4.399 2.850 0.020 0.00 0.00 +0.052 C BRANCH 34 37 ATOM 36 C LIG 1 7.099 1.935 -1.200 0.00 0.00 +0.007 C ATOM 37 C LIG 1 6.620 1.623 0.212 0.00 0.00 +0.041 C ENDBRANCH 34 37 ENDBRANCH 33 34 ENDBRANCH 1 33 TORSDOF 7