REMARK Name = BDB025011 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.416 -1.638 1.296 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -4.400 -2.011 0.397 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -4.618 -3.187 -0.472 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -5.357 -2.791 -1.756 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -3.323 -3.946 -0.744 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -2.307 -3.044 -1.405 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -2.162 -1.749 -0.658 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -0.987 -0.982 -0.846 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.096 -1.263 -1.640 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 0.942 -0.264 -1.481 0.00 0.00 +0.115 A ATOM 11 N LIG 1 0.427 0.678 -0.606 0.00 0.00 -0.324 N ATOM 12 C LIG 1 -0.810 0.226 -0.186 0.00 0.00 +0.069 A ATOM 13 C LIG 1 -1.778 0.728 0.680 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -2.948 -0.029 0.853 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -3.174 -1.257 0.209 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -5.372 -0.739 2.127 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 1.088 1.917 -0.202 0.00 0.00 +0.090 C ATOM 18 C LIG 1 0.325 3.178 -0.650 0.00 0.00 +0.039 C ATOM 19 C LIG 1 1.026 4.482 -0.235 0.00 0.00 +0.100 C ATOM 20 C LIG 1 1.418 4.473 1.247 0.00 0.00 +0.015 C ATOM 21 C LIG 1 2.196 3.221 1.651 0.00 0.00 +0.003 C ATOM 22 C LIG 1 1.439 1.946 1.292 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 2.228 4.782 -1.120 0.00 0.00 +0.308 C ATOM 24 O LIG 1 2.799 3.964 -1.824 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 2.625 6.073 -1.057 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 2.085 6.637 -0.471 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 -7.600 -2.091 2.058 0.00 0.00 +0.282 C ATOM 28 O LIG 1 -6.534 -2.420 1.167 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 2.280 -0.174 -2.160 0.00 0.00 +0.109 C BRANCH 29 30 ATOM 30 C LIG 1 3.452 -0.394 -1.226 0.00 0.00 -0.040 A ATOM 31 C LIG 1 3.540 -1.555 -0.445 0.00 0.00 +0.007 A ATOM 32 C LIG 1 4.620 -1.756 0.421 0.00 0.00 +0.046 A ATOM 33 C LIG 1 5.633 -0.802 0.512 0.00 0.00 +0.120 A ATOM 34 C LIG 1 5.557 0.349 -0.274 0.00 0.00 +0.046 A ATOM 35 C LIG 1 4.481 0.553 -1.140 0.00 0.00 +0.007 A BRANCH 33 36 ATOM 36 O LIG 1 6.737 -0.873 1.318 0.00 0.00 -0.495 OA ATOM 37 C LIG 1 6.875 -2.045 2.112 0.00 0.00 +0.277 C ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 10 29 TORSDOF 7