REMARK Name = BDB052938 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.334 -1.451 -1.307 0.00 0.00 -0.297 N ATOM 2 C LIG 1 -0.210 -2.636 -0.641 0.00 0.00 +0.153 A ATOM 3 C LIG 1 0.858 -3.563 -0.538 0.00 0.00 +0.280 A ATOM 4 N LIG 1 0.516 -4.678 0.191 0.00 0.00 -0.273 N ATOM 5 H LIG 1 1.229 -5.378 0.327 0.00 0.00 +0.173 HD ATOM 6 C LIG 1 -0.671 -4.900 0.870 0.00 0.00 +0.331 A ATOM 7 N LIG 1 -1.661 -3.929 0.752 0.00 0.00 -0.280 N ATOM 8 C LIG 1 -2.927 -4.071 1.446 0.00 0.00 +0.155 C ATOM 9 O LIG 1 -0.785 -5.926 1.540 0.00 0.00 -0.246 OA ATOM 10 O LIG 1 1.976 -3.382 -1.011 0.00 0.00 -0.265 OA ATOM 11 C LIG 1 -1.401 -2.807 -0.005 0.00 0.00 +0.170 A ATOM 12 N LIG 1 -2.228 -1.746 -0.197 0.00 0.00 -0.196 NA ATOM 13 C LIG 1 -1.540 -0.885 -0.928 0.00 0.00 +0.203 A ENDROOT BRANCH 13 14 ATOM 14 N LIG 1 -1.838 0.384 -1.295 0.00 0.00 -0.285 N ATOM 15 H LIG 1 -1.067 1.021 -1.495 0.00 0.00 +0.155 HD BRANCH 14 16 ATOM 16 C LIG 1 -3.039 1.087 -1.052 0.00 0.00 +0.034 A ATOM 17 C LIG 1 -3.058 2.474 -1.264 0.00 0.00 +0.027 A ATOM 18 C LIG 1 -4.226 3.220 -1.069 0.00 0.00 +0.047 A ATOM 19 C LIG 1 -5.407 2.599 -0.669 0.00 0.00 +0.121 A ATOM 20 C LIG 1 -5.410 1.221 -0.471 0.00 0.00 +0.047 A ATOM 21 C LIG 1 -4.237 0.476 -0.667 0.00 0.00 +0.027 A BRANCH 19 22 ATOM 22 O LIG 1 -6.474 3.440 -0.514 0.00 0.00 -0.492 OA BRANCH 22 23 ATOM 23 C LIG 1 -7.701 2.855 -0.081 0.00 0.00 +0.225 C ATOM 24 C LIG 1 -8.730 3.964 0.044 0.00 0.00 +0.048 C ENDBRANCH 22 23 ENDBRANCH 19 22 ENDBRANCH 14 16 ENDBRANCH 13 14 BRANCH 1 25 ATOM 25 C LIG 1 0.606 -0.918 -2.269 0.00 0.00 +0.221 C BRANCH 25 28 ATOM 26 N LIG 1 2.698 -0.529 -1.128 0.00 0.00 -0.284 N ATOM 27 H LIG 1 2.762 -1.546 -1.203 0.00 0.00 +0.155 HD ATOM 28 C LIG 1 1.542 0.064 -1.605 0.00 0.00 +0.237 C ATOM 29 O LIG 1 1.214 1.245 -1.510 0.00 0.00 -0.274 OA BRANCH 26 33 ATOM 30 C LIG 1 6.002 1.180 0.880 0.00 0.00 +0.121 A ATOM 31 C LIG 1 4.976 2.004 0.415 0.00 0.00 +0.047 A ATOM 32 C LIG 1 3.867 1.470 -0.252 0.00 0.00 +0.027 A ATOM 33 C LIG 1 3.772 0.097 -0.466 0.00 0.00 +0.034 A ATOM 34 C LIG 1 4.807 -0.728 -0.008 0.00 0.00 +0.027 A ATOM 35 C LIG 1 5.915 -0.192 0.660 0.00 0.00 +0.047 A BRANCH 30 36 ATOM 36 O LIG 1 7.020 1.840 1.507 0.00 0.00 -0.492 OA BRANCH 36 38 ATOM 37 C LIG 1 9.181 0.782 1.216 0.00 0.00 +0.048 C ATOM 38 C LIG 1 8.033 1.081 2.164 0.00 0.00 +0.225 C ENDBRANCH 36 38 ENDBRANCH 30 36 ENDBRANCH 26 33 ENDBRANCH 25 28 ENDBRANCH 1 25 TORSDOF 9