REMARK Name = BDB024134 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.462 -0.820 0.028 0.00 0.00 -0.284 N ATOM 2 H LIG 1 -0.780 -1.683 0.457 0.00 0.00 +0.155 HD ATOM 3 C LIG 1 -1.443 -0.019 -0.546 0.00 0.00 +0.239 C ATOM 4 O LIG 1 -1.246 1.053 -1.117 0.00 0.00 -0.273 OA ENDROOT BRANCH 1 8 ATOM 5 C LIG 1 3.731 -0.194 0.423 0.00 0.00 +0.030 A ATOM 6 C LIG 1 3.087 -1.330 0.927 0.00 0.00 +0.025 A ATOM 7 C LIG 1 1.704 -1.513 0.780 0.00 0.00 +0.025 A ATOM 8 C LIG 1 0.918 -0.557 0.130 0.00 0.00 +0.034 A ATOM 9 C LIG 1 1.539 0.585 -0.363 0.00 0.00 +0.025 A ATOM 10 C LIG 1 2.922 0.760 -0.212 0.00 0.00 +0.025 A BRANCH 5 16 ATOM 11 C LIG 1 10.123 0.376 -0.739 0.00 0.00 +0.109 C ATOM 12 C LIG 1 9.387 -0.017 0.516 0.00 0.00 +0.213 C ATOM 13 N LIG 1 7.999 0.004 0.470 0.00 0.00 -0.299 N ATOM 14 C LIG 1 7.233 0.706 -0.568 0.00 0.00 +0.126 C ATOM 15 C LIG 1 5.810 0.145 -0.754 0.00 0.00 +0.124 C ATOM 16 N LIG 1 5.109 0.042 0.549 0.00 0.00 -0.327 N ATOM 17 C LIG 1 5.865 -0.770 1.527 0.00 0.00 +0.124 C ATOM 18 C LIG 1 7.277 -0.197 1.732 0.00 0.00 +0.126 C ATOM 19 O LIG 1 10.014 -0.355 1.520 0.00 0.00 -0.276 OA ENDBRANCH 5 16 ENDBRANCH 1 8 BRANCH 3 20 ATOM 20 C LIG 1 -2.866 -0.657 -0.483 0.00 0.00 +0.171 C BRANCH 20 21 ATOM 21 C LIG 1 -3.294 -1.173 0.886 0.00 0.00 -0.022 A ATOM 22 C LIG 1 -2.893 -0.554 2.082 0.00 0.00 +0.005 A ATOM 23 C LIG 1 -3.308 -1.056 3.317 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -4.140 -2.171 3.375 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -4.566 -2.782 2.198 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -4.151 -2.284 0.962 0.00 0.00 +0.005 A ENDBRANCH 20 21 BRANCH 20 27 ATOM 27 N LIG 1 -3.877 0.208 -1.141 0.00 0.00 -0.302 NA ATOM 28 H LIG 1 -3.430 0.584 -1.982 0.00 0.00 +0.123 HD BRANCH 27 29 ATOM 29 C LIG 1 -4.315 1.349 -0.323 0.00 0.00 +0.086 C BRANCH 29 30 ATOM 30 C LIG 1 -5.198 2.321 -1.126 0.00 0.00 +0.050 C BRANCH 30 31 ATOM 31 C LIG 1 -6.558 1.761 -1.475 0.00 0.00 -0.046 A ATOM 32 C LIG 1 -7.596 1.782 -0.532 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -8.850 1.255 -0.848 0.00 0.00 +0.020 A ATOM 34 C LIG 1 -9.071 0.702 -2.108 0.00 0.00 +0.041 A ATOM 35 CL LIG 1 -10.616 0.051 -2.497 0.00 0.00 -0.084 Cl ATOM 36 C LIG 1 -8.049 0.671 -3.053 0.00 0.00 +0.020 A ATOM 37 C LIG 1 -6.795 1.198 -2.737 0.00 0.00 +0.005 A ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 27 29 ENDBRANCH 20 27 ENDBRANCH 3 20 TORSDOF 8