REMARK Name = BDB025026 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.598 -3.642 0.288 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -4.471 -3.432 -0.530 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -4.415 -4.296 -1.726 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -5.471 -3.870 -2.762 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -3.025 -4.378 -2.354 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -2.505 -2.987 -2.646 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -2.502 -2.181 -1.378 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -1.533 -1.167 -1.198 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.573 -0.737 -2.078 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 0.091 0.224 -1.463 0.00 0.00 +0.117 A ATOM 11 N LIG 1 -0.383 0.400 -0.173 0.00 0.00 -0.324 N ATOM 12 C LIG 1 -1.455 -0.459 -0.005 0.00 0.00 +0.069 A ATOM 13 C LIG 1 -2.340 -0.709 1.043 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -3.316 -1.698 0.848 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -3.451 -2.421 -0.349 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -6.309 -4.643 0.209 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 0.136 1.350 0.816 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -0.862 2.495 1.080 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -0.369 3.502 2.129 0.00 0.00 +0.100 C ATOM 20 C LIG 1 0.118 2.799 3.402 0.00 0.00 +0.015 C ATOM 21 C LIG 1 1.143 1.702 3.117 0.00 0.00 +0.003 C ATOM 22 C LIG 1 0.621 0.677 2.112 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 0.692 4.424 1.560 0.00 0.00 +0.308 C ATOM 24 O LIG 1 1.258 4.312 0.486 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 0.967 5.460 2.374 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 1.653 5.973 1.894 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 -7.082 -2.806 1.906 0.00 0.00 +0.282 C ATOM 28 O LIG 1 -5.900 -2.615 1.131 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 1.203 0.997 -2.102 0.00 0.00 +0.131 C BRANCH 29 30 ATOM 30 C LIG 1 2.527 0.286 -2.019 0.00 0.00 +0.070 A ATOM 31 N LIG 1 3.519 0.863 -1.288 0.00 0.00 -0.215 NA ATOM 32 C LIG 1 4.700 0.210 -1.278 0.00 0.00 +0.234 A ATOM 33 C LIG 1 4.885 -0.982 -1.963 0.00 0.00 +0.177 A ATOM 34 N LIG 1 3.908 -1.576 -2.687 0.00 0.00 -0.256 NA ATOM 35 C LIG 1 2.728 -0.916 -2.697 0.00 0.00 +0.134 A BRANCH 32 36 ATOM 36 O LIG 1 5.785 0.707 -0.599 0.00 0.00 -0.470 OA BRANCH 36 37 ATOM 37 C LIG 1 5.677 1.929 0.158 0.00 0.00 +0.104 C ATOM 38 C LIG 1 7.081 2.094 0.775 0.00 0.00 +0.055 C ATOM 39 C LIG 1 5.418 3.156 -0.734 0.00 0.00 +0.055 C ATOM 40 C LIG 1 4.673 1.817 1.317 0.00 0.00 +0.055 C ENDBRANCH 36 37 ENDBRANCH 32 36 ENDBRANCH 29 30 ENDBRANCH 10 29 TORSDOF 8