REMARK Name = BDB056112 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.125 0.427 1.697 0.00 0.00 +0.134 A ATOM 2 C LIG 1 -2.516 0.226 1.703 0.00 0.00 +0.088 A ATOM 3 C LIG 1 -3.111 0.062 2.945 0.00 0.00 +0.233 A ATOM 4 O LIG 1 -4.445 -0.149 2.801 0.00 0.00 -0.436 OA ATOM 5 C LIG 1 -4.738 -0.110 1.467 0.00 0.00 +0.146 A ATOM 6 N LIG 1 -2.514 0.089 4.143 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 -1.202 0.308 4.024 0.00 0.00 +0.227 A ATOM 8 C LIG 1 -3.574 0.116 0.745 0.00 0.00 +0.041 A ATOM 9 N LIG 1 -0.492 0.471 2.894 0.00 0.00 -0.220 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -6.154 -0.296 1.151 0.00 0.00 +0.018 A ATOM 11 C LIG 1 -6.950 -1.144 1.938 0.00 0.00 +0.011 A ATOM 12 C LIG 1 -8.303 -1.337 1.644 0.00 0.00 +0.001 A ATOM 13 C LIG 1 -8.880 -0.681 0.561 0.00 0.00 +0.000 A ATOM 14 C LIG 1 -8.108 0.171 -0.225 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -6.755 0.363 0.070 0.00 0.00 +0.011 A ENDBRANCH 5 10 BRANCH 8 16 ATOM 16 C LIG 1 -3.503 0.188 -0.702 0.00 0.00 -0.014 A ATOM 17 C LIG 1 -3.089 1.372 -1.325 0.00 0.00 +0.008 A ATOM 18 C LIG 1 -3.000 1.439 -2.716 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -3.323 0.326 -3.490 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -3.735 -0.856 -2.876 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -3.822 -0.928 -1.485 0.00 0.00 +0.008 A ENDBRANCH 8 16 BRANCH 1 22 ATOM 22 N LIG 1 -0.398 0.593 0.516 0.00 0.00 -0.328 N ATOM 23 H LIG 1 -0.865 0.162 -0.276 0.00 0.00 +0.147 HD BRANCH 22 24 ATOM 24 C LIG 1 1.033 0.315 0.605 0.00 0.00 +0.107 C BRANCH 24 25 ATOM 25 C LIG 1 1.687 0.548 -0.762 0.00 0.00 +0.054 C BRANCH 25 29 ATOM 26 C LIG 1 5.928 -0.320 -0.663 0.00 0.00 +0.035 A ATOM 27 C LIG 1 5.456 0.953 -0.341 0.00 0.00 +0.023 A ATOM 28 C LIG 1 4.086 1.233 -0.378 0.00 0.00 +0.005 A ATOM 29 C LIG 1 3.164 0.246 -0.745 0.00 0.00 -0.046 A ATOM 30 C LIG 1 3.636 -1.030 -1.068 0.00 0.00 +0.005 A ATOM 31 C LIG 1 5.006 -1.308 -1.031 0.00 0.00 +0.023 A BRANCH 26 36 ATOM 32 C LIG 1 10.790 0.057 -0.105 0.00 0.00 +0.129 C ATOM 33 N LIG 1 9.547 -0.584 -0.460 0.00 0.00 -0.302 N ATOM 34 H LIG 1 9.555 -1.119 -1.315 0.00 0.00 +0.150 HD ATOM 35 C LIG 1 8.354 0.071 -0.204 0.00 0.00 +0.304 C ATOM 36 N LIG 1 7.290 -0.676 -0.659 0.00 0.00 -0.269 N ATOM 37 H LIG 1 7.507 -1.637 -0.875 0.00 0.00 +0.156 HD ATOM 38 O LIG 1 8.308 1.154 0.363 0.00 0.00 -0.253 OA ENDBRANCH 26 36 ENDBRANCH 25 29 ENDBRANCH 24 25 ENDBRANCH 22 24 ENDBRANCH 1 22 TORSDOF 7