REMARK Name = BDB042887 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.992 -0.153 2.321 0.00 0.00 +0.261 A ATOM 2 C LIG 1 2.703 -1.514 2.121 0.00 0.00 +0.096 A ATOM 3 C LIG 1 3.303 -2.382 3.036 0.00 0.00 +0.050 A ATOM 4 C LIG 1 4.074 -1.872 4.067 0.00 0.00 +0.137 A ATOM 5 N LIG 1 4.264 -0.556 4.257 0.00 0.00 -0.154 NA ATOM 6 N LIG 1 3.711 0.312 3.377 0.00 0.00 -0.109 NA ENDROOT BRANCH 2 7 ATOM 7 N LIG 1 1.873 -1.978 1.110 0.00 0.00 -0.325 N ATOM 8 C LIG 1 0.455 -1.594 1.157 0.00 0.00 +0.114 C ATOM 9 C LIG 1 -0.193 -2.533 0.139 0.00 0.00 +0.013 C ATOM 10 C LIG 1 -0.365 -1.938 -1.283 0.00 0.00 +0.094 C ATOM 11 N LIG 1 -1.714 -1.472 -0.850 0.00 0.00 -0.298 NA ATOM 12 C LIG 1 -1.741 -2.612 0.114 0.00 0.00 +0.094 C ATOM 13 C LIG 1 0.631 -3.806 0.232 0.00 0.00 +0.030 C ATOM 14 C LIG 1 2.050 -3.276 0.452 0.00 0.00 +0.106 C BRANCH 11 15 ATOM 15 C LIG 1 -2.717 -1.620 -1.923 0.00 0.00 +0.059 C BRANCH 15 16 ATOM 16 C LIG 1 -2.395 -0.672 -3.129 0.00 0.00 -0.000 C ATOM 17 C LIG 1 -2.391 0.823 -2.803 0.00 0.00 +0.009 C ATOM 18 C LIG 1 -3.311 -0.930 -4.332 0.00 0.00 +0.009 C ENDBRANCH 15 16 BRANCH 15 19 ATOM 19 C LIG 1 -4.159 -1.468 -1.365 0.00 0.00 +0.020 C BRANCH 19 20 ATOM 20 C LIG 1 -4.382 -0.365 -0.318 0.00 0.00 +0.017 C BRANCH 20 21 ATOM 21 C LIG 1 -5.875 -0.028 -0.186 0.00 0.00 +0.084 C BRANCH 21 22 ATOM 22 N LIG 1 -6.116 0.966 0.875 0.00 0.00 -0.303 NA ATOM 23 C LIG 1 -6.142 0.326 2.194 0.00 0.00 +0.105 C BRANCH 22 24 ATOM 24 C LIG 1 -7.378 1.696 0.649 0.00 0.00 +0.112 C BRANCH 24 25 ATOM 25 C LIG 1 -7.217 2.847 -0.364 0.00 0.00 +0.174 C BRANCH 25 26 ATOM 26 O LIG 1 -8.432 3.592 -0.510 0.00 0.00 -0.382 OA ATOM 27 C LIG 1 -9.346 2.993 -1.419 0.00 0.00 +0.194 C ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 22 24 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 15 19 ENDBRANCH 11 15 ENDBRANCH 2 7 BRANCH 1 28 ATOM 28 O LIG 1 2.531 0.848 1.494 0.00 0.00 -0.435 OA BRANCH 28 30 ATOM 29 C LIG 1 4.041 0.393 -0.440 0.00 0.00 +0.082 A ATOM 30 C LIG 1 2.840 0.811 0.151 0.00 0.00 +0.143 A ATOM 31 C LIG 1 1.825 1.322 -0.675 0.00 0.00 +0.050 A ATOM 32 C LIG 1 1.978 1.350 -2.063 0.00 0.00 +0.042 A ATOM 33 C LIG 1 3.153 0.876 -2.629 0.00 0.00 +0.124 A ATOM 34 F LIG 1 3.295 0.892 -3.961 0.00 0.00 -0.205 F ATOM 35 C LIG 1 4.187 0.402 -1.835 0.00 0.00 +0.055 A BRANCH 29 37 ATOM 36 N LIG 1 6.085 0.901 0.858 0.00 0.00 -0.295 N ATOM 37 C LIG 1 5.221 -0.056 0.316 0.00 0.00 +0.250 C ATOM 38 O LIG 1 5.415 -1.269 0.369 0.00 0.00 -0.270 OA BRANCH 36 39 ATOM 39 C LIG 1 5.939 2.366 0.684 0.00 0.00 +0.070 C ATOM 40 C LIG 1 7.202 3.015 0.116 0.00 0.00 +0.028 C ATOM 41 C LIG 1 5.508 3.059 1.977 0.00 0.00 +0.028 C ENDBRANCH 36 39 BRANCH 36 43 ATOM 42 C LIG 1 8.349 -0.138 0.836 0.00 0.00 +0.024 C ATOM 43 C LIG 1 7.191 0.389 1.674 0.00 0.00 +0.105 C ENDBRANCH 36 43 ENDBRANCH 29 37 ENDBRANCH 28 30 ENDBRANCH 1 28 TORSDOF 15