REMARK Name = BDB025215 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.776 0.972 1.047 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.834 -0.070 1.102 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.290 -1.482 1.134 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.970 -1.819 2.475 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.187 -2.529 0.909 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.215 -2.062 -0.149 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.603 -0.781 0.340 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.230 -0.504 0.171 0.00 0.00 +0.096 A ATOM 9 N LIG 1 0.258 -1.284 -0.395 0.00 0.00 -0.214 NA ATOM 10 C LIG 1 -0.866 -0.605 -0.328 0.00 0.00 +0.201 A ATOM 11 N LIG 1 -0.646 0.618 0.290 0.00 0.00 -0.308 N ATOM 12 C LIG 1 0.698 0.700 0.608 0.00 0.00 +0.071 A ATOM 13 C LIG 1 1.484 1.676 1.224 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.849 1.398 1.381 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.427 0.195 0.948 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.532 2.173 0.994 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.635 1.648 0.606 0.00 0.00 +0.091 C ATOM 18 C LIG 1 -2.262 2.294 -0.648 0.00 0.00 +0.040 C ATOM 19 C LIG 1 -3.700 2.773 -0.412 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -3.869 3.349 0.994 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -3.604 2.303 2.078 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -2.676 1.172 1.631 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -4.068 3.806 -1.449 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -3.724 4.976 -1.465 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -4.831 3.301 -2.434 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -4.975 4.059 -3.039 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 8.062 1.526 0.944 0.00 0.00 +0.282 C ATOM 28 O LIG 1 7.064 0.508 1.019 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 N LIG 1 -2.091 -0.958 -0.771 0.00 0.00 -0.282 N ATOM 30 H LIG 1 -2.870 -0.308 -0.757 0.00 0.00 +0.155 HD BRANCH 29 31 ATOM 31 C LIG 1 -2.508 -2.142 -1.429 0.00 0.00 +0.076 A ATOM 32 C LIG 1 -3.836 -2.179 -1.927 0.00 0.00 +0.141 A ATOM 33 C LIG 1 -4.313 -3.317 -2.584 0.00 0.00 +0.047 A ATOM 34 C LIG 1 -3.481 -4.424 -2.754 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -2.176 -4.398 -2.268 0.00 0.00 +0.002 A ATOM 36 C LIG 1 -1.694 -3.264 -1.610 0.00 0.00 +0.027 A BRANCH 32 37 ATOM 37 O LIG 1 -4.566 -1.030 -1.703 0.00 0.00 -0.493 OA ATOM 38 C LIG 1 -5.873 -0.978 -2.261 0.00 0.00 +0.277 C ENDBRANCH 32 37 ENDBRANCH 29 31 ENDBRANCH 10 29 TORSDOF 7