REMARK Name = BDB025061 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.351 1.522 -0.876 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.607 0.391 -0.495 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.237 -0.952 -0.513 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.292 -1.089 0.601 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.263 -2.131 -0.362 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.986 -1.871 -1.127 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.368 -0.628 -0.557 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.976 -0.521 -0.351 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.002 -1.453 -0.581 0.00 0.00 -0.228 NA ATOM 10 C LIG 1 -1.146 -0.891 -0.238 0.00 0.00 +0.149 A ATOM 11 N LIG 1 -0.929 0.400 0.216 0.00 0.00 -0.322 N ATOM 12 C LIG 1 0.427 0.653 0.147 0.00 0.00 +0.070 A ATOM 13 C LIG 1 1.217 1.762 0.457 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.598 1.651 0.242 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.189 0.484 -0.263 0.00 0.00 +0.045 A ATOM 16 O LIG 1 4.940 2.675 -0.944 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.958 1.321 0.699 0.00 0.00 +0.089 C ATOM 18 C LIG 1 -2.089 2.585 -0.173 0.00 0.00 +0.026 C ATOM 19 C LIG 1 -2.380 3.856 0.631 0.00 0.00 +0.017 C ATOM 20 C LIG 1 -3.358 3.644 1.789 0.00 0.00 +0.098 C ATOM 21 C LIG 1 -2.977 2.473 2.710 0.00 0.00 +0.017 C ATOM 22 C LIG 1 -1.807 1.635 2.192 0.00 0.00 +0.026 C BRANCH 20 23 ATOM 23 C LIG 1 -4.777 3.538 1.267 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -5.598 4.439 1.246 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -5.083 2.332 0.751 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -6.009 2.447 0.445 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 20 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 7.428 2.313 -1.653 0.00 0.00 +0.282 C ATOM 28 O LIG 1 6.635 1.204 -1.227 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.507 -1.523 -0.311 0.00 0.00 +0.303 C BRANCH 29 30 ATOM 30 O LIG 1 -2.362 -2.846 -0.825 0.00 0.00 -0.484 OA BRANCH 30 31 ATOM 31 C LIG 1 -3.502 -3.587 -0.967 0.00 0.00 +0.121 A ATOM 32 C LIG 1 -4.798 -3.179 -0.647 0.00 0.00 +0.045 A ATOM 33 C LIG 1 -5.876 -4.048 -0.845 0.00 0.00 +0.004 A ATOM 34 C LIG 1 -5.664 -5.325 -1.363 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -4.373 -5.737 -1.683 0.00 0.00 +0.004 A ATOM 36 C LIG 1 -3.298 -4.869 -1.485 0.00 0.00 +0.045 A ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 10 29 TORSDOF 7