REMARK Name = BDB025126 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.097 -1.687 0.666 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.839 -2.169 0.263 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.744 -3.416 -0.537 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.109 -4.651 0.307 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.366 -3.685 -1.163 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.742 -2.401 -1.657 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.592 -1.491 -0.474 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.438 -0.701 -0.288 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.310 -0.634 -1.053 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.494 0.241 -0.477 0.00 0.00 +0.114 A ATOM 11 N LIG 1 0.089 0.776 0.659 0.00 0.00 -0.324 N ATOM 12 C LIG 1 1.336 0.158 0.794 0.00 0.00 +0.069 A ATOM 13 C LIG 1 2.364 0.274 1.736 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.510 -0.509 1.544 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.649 -1.383 0.457 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.315 -0.654 1.290 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -0.369 1.775 1.634 0.00 0.00 +0.090 C ATOM 18 C LIG 1 0.364 3.125 1.490 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -0.402 4.196 0.715 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -1.777 4.407 1.347 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -2.608 3.133 1.403 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -1.868 1.918 1.970 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -0.476 3.912 -0.772 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -1.453 4.031 -1.492 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 0.710 3.540 -1.288 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 0.535 3.358 -2.235 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 8.425 -2.034 0.607 0.00 0.00 +0.282 C ATOM 28 O LIG 1 7.121 -2.490 0.243 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -1.861 0.529 -1.032 0.00 0.00 +0.055 C ATOM 30 C LIG 1 -1.780 0.744 -2.550 0.00 0.00 +0.015 C BRANCH 29 31 ATOM 31 C LIG 1 -2.811 -0.636 -0.678 0.00 0.00 +0.042 C BRANCH 31 32 ATOM 32 C LIG 1 -4.287 -0.337 -0.964 0.00 0.00 +0.119 C ATOM 33 O LIG 1 -4.679 0.790 -0.171 0.00 0.00 -0.377 OA ATOM 34 C LIG 1 -6.025 1.192 -0.428 0.00 0.00 +0.160 C ATOM 35 C LIG 1 -6.997 0.078 -0.064 0.00 0.00 +0.028 C ATOM 36 C LIG 1 -6.641 -1.209 -0.799 0.00 0.00 +0.005 C ATOM 37 C LIG 1 -5.164 -1.544 -0.611 0.00 0.00 +0.032 C ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 10 29 TORSDOF 7