REMARK Name = BDB053278 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.660 -1.596 0.437 0.00 0.00 +0.065 C ENDROOT BRANCH 1 5 ATOM 2 C LIG 1 2.757 -1.028 -0.340 0.00 0.00 +0.228 A ATOM 3 O LIG 1 2.308 -0.930 -1.631 0.00 0.00 -0.440 OA ATOM 4 C LIG 1 0.958 -1.138 -1.544 0.00 0.00 +0.131 A ATOM 5 C LIG 1 0.652 -1.343 -0.214 0.00 0.00 +0.084 A ATOM 6 N LIG 1 1.802 -1.269 0.539 0.00 0.00 -0.214 NA BRANCH 2 10 ATOM 7 C LIG 1 6.958 -0.519 0.357 0.00 0.00 -0.047 A ATOM 8 C LIG 1 6.441 -0.404 -0.939 0.00 0.00 +0.004 A ATOM 9 C LIG 1 5.072 -0.569 -1.176 0.00 0.00 +0.013 A ATOM 10 C LIG 1 4.190 -0.853 -0.123 0.00 0.00 +0.037 A ATOM 11 C LIG 1 4.714 -0.967 1.172 0.00 0.00 +0.013 A ATOM 12 C LIG 1 6.082 -0.803 1.411 0.00 0.00 +0.004 A BRANCH 7 13 ATOM 13 C LIG 1 8.434 -0.336 0.615 0.00 0.00 +0.035 C BRANCH 13 14 ATOM 14 C LIG 1 8.780 0.973 1.334 0.00 0.00 +0.004 C BRANCH 14 16 ATOM 15 C LIG 1 8.958 3.483 1.192 0.00 0.00 +0.004 C ATOM 16 C LIG 1 8.518 2.214 0.478 0.00 0.00 -0.003 C ENDBRANCH 14 16 ENDBRANCH 13 14 ENDBRANCH 7 13 ENDBRANCH 2 10 BRANCH 4 17 ATOM 17 C LIG 1 0.176 -1.092 -2.811 0.00 0.00 +0.051 C ATOM 18 C LIG 1 0.185 0.318 -3.402 0.00 0.00 +0.015 C ATOM 19 C LIG 1 0.701 -2.110 -3.822 0.00 0.00 +0.015 C ENDBRANCH 4 17 ENDBRANCH 1 5 BRANCH 1 20 ATOM 20 C LIG 1 -1.051 -0.464 1.389 0.00 0.00 +0.066 C BRANCH 20 21 ATOM 21 C LIG 1 -2.444 -0.617 1.895 0.00 0.00 +0.092 A ATOM 22 C LIG 1 -3.620 0.038 1.447 0.00 0.00 +0.045 A ATOM 23 C LIG 1 -4.614 -0.476 2.261 0.00 0.00 +0.171 A ATOM 24 C LIG 1 -5.957 -0.118 2.189 0.00 0.00 +0.095 A ATOM 25 C LIG 1 -6.289 0.803 1.193 0.00 0.00 +0.126 A ATOM 26 C LIG 1 -5.312 1.379 0.375 0.00 0.00 +0.046 A ATOM 27 O LIG 1 -4.069 -1.368 3.129 0.00 0.00 -0.354 OA ATOM 28 C LIG 1 -3.966 0.996 0.479 0.00 0.00 +0.017 A ATOM 29 N LIG 1 -2.706 -1.466 2.900 0.00 0.00 -0.082 NA BRANCH 25 30 ATOM 30 O LIG 1 -7.576 1.259 1.099 0.00 0.00 -0.475 OA BRANCH 30 31 ATOM 31 C LIG 1 -8.471 0.496 0.246 0.00 0.00 +0.200 C ATOM 32 C LIG 1 -8.794 -0.882 0.830 0.00 0.00 +0.067 C ATOM 33 C LIG 1 -7.985 0.404 -1.204 0.00 0.00 +0.067 C BRANCH 31 34 ATOM 34 C LIG 1 -9.786 1.303 0.235 0.00 0.00 +0.348 C ATOM 35 O LIG 1 -10.785 0.997 -0.401 0.00 0.00 -0.247 OA BRANCH 34 36 ATOM 36 O LIG 1 -9.745 2.415 1.013 0.00 0.00 -0.478 OA ATOM 37 H LIG 1 -8.861 2.483 1.439 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 31 34 ENDBRANCH 30 31 ENDBRANCH 25 30 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 12