REMARK Name = BDB056108 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.544 1.190 0.084 0.00 0.00 +0.134 A ATOM 2 C LIG 1 -1.949 1.213 0.141 0.00 0.00 +0.088 A ATOM 3 C LIG 1 -2.536 2.433 0.439 0.00 0.00 +0.233 A ATOM 4 O LIG 1 -3.887 2.304 0.487 0.00 0.00 -0.436 OA ATOM 5 C LIG 1 -4.198 1.003 0.204 0.00 0.00 +0.146 A ATOM 6 N LIG 1 -1.919 3.599 0.665 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 -0.594 3.472 0.566 0.00 0.00 +0.227 A ATOM 8 C LIG 1 -3.029 0.286 -0.015 0.00 0.00 +0.041 A ATOM 9 N LIG 1 0.111 2.358 0.297 0.00 0.00 -0.220 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -5.631 0.712 0.191 0.00 0.00 +0.018 A ATOM 11 C LIG 1 -6.499 1.382 1.068 0.00 0.00 +0.011 A ATOM 12 C LIG 1 -7.870 1.109 1.071 0.00 0.00 +0.001 A ATOM 13 C LIG 1 -8.393 0.164 0.193 0.00 0.00 +0.000 A ATOM 14 C LIG 1 -7.548 -0.504 -0.691 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -6.178 -0.230 -0.693 0.00 0.00 +0.011 A ENDBRANCH 5 10 BRANCH 8 16 ATOM 16 C LIG 1 -2.978 -1.132 -0.313 0.00 0.00 -0.014 A ATOM 17 C LIG 1 -3.427 -2.071 0.623 0.00 0.00 +0.008 A ATOM 18 C LIG 1 -3.362 -3.435 0.334 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -2.846 -3.867 -0.887 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -2.393 -2.936 -1.821 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -2.459 -1.571 -1.537 0.00 0.00 +0.008 A ENDBRANCH 8 16 BRANCH 1 22 ATOM 22 N LIG 1 0.175 0.027 -0.191 0.00 0.00 -0.328 N ATOM 23 H LIG 1 -0.344 -0.810 0.055 0.00 0.00 +0.147 HD BRANCH 22 24 ATOM 24 C LIG 1 1.580 -0.001 0.204 0.00 0.00 +0.107 C BRANCH 24 25 ATOM 25 C LIG 1 2.480 0.566 -0.899 0.00 0.00 +0.054 C BRANCH 25 29 ATOM 26 C LIG 1 6.652 0.363 0.238 0.00 0.00 +0.035 A ATOM 27 C LIG 1 5.870 1.469 0.591 0.00 0.00 +0.023 A ATOM 28 C LIG 1 4.524 1.538 0.218 0.00 0.00 +0.005 A ATOM 29 C LIG 1 3.938 0.501 -0.516 0.00 0.00 -0.046 A ATOM 30 C LIG 1 4.719 -0.607 -0.860 0.00 0.00 +0.005 A ATOM 31 C LIG 1 6.065 -0.675 -0.485 0.00 0.00 +0.023 A BRANCH 26 36 ATOM 32 N LIG 1 10.143 -0.270 0.988 0.00 0.00 -0.313 N ATOM 33 H LIG 1 10.835 -0.993 0.827 0.00 0.00 +0.146 HD ATOM 34 H LIG 1 10.063 -0.002 1.958 0.00 0.00 +0.146 HD ATOM 35 C LIG 1 8.971 -0.546 0.343 0.00 0.00 +0.301 C ATOM 36 N LIG 1 7.997 0.363 0.657 0.00 0.00 -0.270 N ATOM 37 H LIG 1 8.324 1.187 1.138 0.00 0.00 +0.156 HD ATOM 38 O LIG 1 8.907 -1.507 -0.408 0.00 0.00 -0.253 OA ENDBRANCH 26 36 ENDBRANCH 25 29 ENDBRANCH 24 25 ENDBRANCH 22 24 ENDBRANCH 1 22 TORSDOF 7