REMARK Name = BDB008151 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.147 0.850 -0.542 0.00 0.00 +0.159 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 2.005 2.495 -0.747 0.00 0.00 +0.234 C ATOM 3 N LIG 1 1.201 1.691 0.023 0.00 0.00 -0.302 N ATOM 4 H LIG 1 1.199 1.789 1.035 0.00 0.00 +0.150 HD ATOM 5 O LIG 1 1.927 2.546 -1.974 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 C LIG 1 2.978 3.381 0.055 0.00 0.00 +0.156 C ATOM 7 C LIG 1 2.237 4.593 0.602 0.00 0.00 +0.038 C BRANCH 6 10 ATOM 8 C LIG 1 6.089 3.425 -2.086 0.00 0.00 +0.109 C ATOM 9 C LIG 1 5.196 3.035 -0.939 0.00 0.00 +0.211 C ATOM 10 N LIG 1 4.054 3.799 -0.838 0.00 0.00 -0.304 N ATOM 11 H LIG 1 3.740 4.226 -1.703 0.00 0.00 +0.149 HD ATOM 12 O LIG 1 5.471 2.111 -0.180 0.00 0.00 -0.276 OA ENDBRANCH 6 10 ENDBRANCH 2 6 ENDBRANCH 1 3 BRANCH 1 13 ATOM 13 C LIG 1 -0.847 0.535 0.605 0.00 0.00 +0.234 C ATOM 14 N LIG 1 -1.862 -0.356 0.331 0.00 0.00 -0.302 N ATOM 15 H LIG 1 -1.727 -1.052 -0.410 0.00 0.00 +0.150 HD ATOM 16 O LIG 1 -0.748 1.094 1.702 0.00 0.00 -0.274 OA BRANCH 14 17 ATOM 17 C LIG 1 -2.751 -0.787 1.410 0.00 0.00 +0.161 C BRANCH 17 18 ATOM 18 C LIG 1 -1.979 -1.852 2.228 0.00 0.00 +0.231 C ATOM 19 O LIG 1 -1.182 -2.655 1.745 0.00 0.00 -0.274 OA ATOM 20 N LIG 1 -2.248 -1.882 3.570 0.00 0.00 -0.328 N ATOM 21 H LIG 1 -2.558 -1.038 4.033 0.00 0.00 +0.145 HD ATOM 22 H LIG 1 -1.656 -2.500 4.111 0.00 0.00 +0.145 HD ENDBRANCH 17 18 BRANCH 17 23 ATOM 23 C LIG 1 -4.089 -1.347 0.870 0.00 0.00 +0.012 C ATOM 24 C LIG 1 -5.075 -1.667 1.999 0.00 0.00 +0.009 C ATOM 25 C LIG 1 -4.755 -0.364 -0.102 0.00 0.00 +0.009 C ENDBRANCH 17 23 ENDBRANCH 14 17 ENDBRANCH 1 13 BRANCH 1 26 ATOM 26 C LIG 1 0.727 -0.386 -1.236 0.00 0.00 +0.033 C BRANCH 26 27 ATOM 27 C LIG 1 1.400 -1.383 -0.281 0.00 0.00 +0.023 C BRANCH 27 28 ATOM 28 C LIG 1 1.372 -2.825 -0.797 0.00 0.00 +0.115 C BRANCH 28 29 ATOM 29 N LIG 1 0.025 -3.391 -0.718 0.00 0.00 -0.356 N ATOM 30 H LIG 1 -0.414 -3.147 0.181 0.00 0.00 +0.162 HD BRANCH 29 31 ATOM 31 C LIG 1 -0.865 -3.252 -1.724 0.00 0.00 +0.188 C ATOM 32 N LIG 1 -1.986 -2.647 -1.557 0.00 0.00 -0.269 NA ATOM 33 H LIG 1 -2.492 -2.658 -2.446 0.00 0.00 +0.190 HD BRANCH 31 34 ATOM 34 N LIG 1 -0.473 -3.793 -2.891 0.00 0.00 -0.370 N ATOM 35 H LIG 1 -1.219 -4.019 -3.533 0.00 0.00 +0.159 HD ATOM 36 H LIG 1 0.137 -4.590 -2.743 0.00 0.00 +0.159 HD ENDBRANCH 31 34 ENDBRANCH 29 31 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 1 26 TORSDOF 13