REMARK Name = BDB032414 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.149 1.009 0.703 0.00 0.00 +0.140 C ENDROOT BRANCH 1 5 ATOM 2 N LIG 1 1.440 0.487 1.187 0.00 0.00 -0.271 N ATOM 3 N LIG 1 1.085 0.523 2.484 0.00 0.00 -0.179 NA ATOM 4 C LIG 1 -0.237 0.704 2.443 0.00 0.00 +0.139 A ATOM 5 C LIG 1 -0.734 0.803 1.124 0.00 0.00 +0.007 A ATOM 6 C LIG 1 0.388 0.651 0.333 0.00 0.00 +0.113 A BRANCH 2 7 ATOM 7 C LIG 1 2.837 0.293 0.825 0.00 0.00 +0.144 C BRANCH 7 8 ATOM 8 C LIG 1 3.225 -1.181 0.861 0.00 0.00 +0.027 C BRANCH 8 13 ATOM 9 C LIG 1 7.926 -0.291 -0.708 0.00 0.00 +0.104 C ATOM 10 N LIG 1 6.697 0.458 -0.453 0.00 0.00 -0.305 NA ATOM 11 C LIG 1 5.600 0.052 -1.332 0.00 0.00 +0.084 C ATOM 12 C LIG 1 5.006 -1.320 -1.008 0.00 0.00 +0.019 C ATOM 13 C LIG 1 4.676 -1.544 0.477 0.00 0.00 -0.007 C ATOM 14 C LIG 1 5.742 -0.944 1.406 0.00 0.00 +0.019 C ATOM 15 C LIG 1 6.294 0.410 0.954 0.00 0.00 +0.084 C ENDBRANCH 8 13 ENDBRANCH 7 8 ENDBRANCH 2 7 ENDBRANCH 1 5 BRANCH 1 16 ATOM 16 N LIG 1 -2.928 -0.222 0.621 0.00 0.00 -0.340 N ATOM 17 H LIG 1 -2.365 -1.001 0.291 0.00 0.00 +0.146 HD BRANCH 16 18 ATOM 18 C LIG 1 -4.202 -0.209 0.049 0.00 0.00 +0.028 A ATOM 19 C LIG 1 -5.011 0.932 -0.024 0.00 0.00 +0.031 A ATOM 20 C LIG 1 -6.320 0.888 -0.548 0.00 0.00 -0.011 A ATOM 21 C LIG 1 -6.860 -0.338 -0.982 0.00 0.00 +0.022 A ATOM 22 C LIG 1 -8.178 -0.326 -1.490 0.00 0.00 +0.124 A ATOM 23 N LIG 1 -8.926 0.788 -1.599 0.00 0.00 -0.240 NA ATOM 24 C LIG 1 -8.374 1.943 -1.177 0.00 0.00 +0.113 A ATOM 25 C LIG 1 -6.059 -1.492 -0.876 0.00 0.00 +0.014 A ATOM 26 C LIG 1 -7.100 2.044 -0.648 0.00 0.00 +0.028 A ATOM 27 C LIG 1 -4.763 -1.425 -0.355 0.00 0.00 +0.023 A BRANCH 22 28 ATOM 28 N LIG 1 -8.810 -1.495 -1.929 0.00 0.00 -0.343 N ATOM 29 H LIG 1 -9.749 -1.217 -2.205 0.00 0.00 +0.144 HD ATOM 30 H LIG 1 -8.832 -2.184 -1.187 0.00 0.00 +0.144 HD ENDBRANCH 22 28 ENDBRANCH 16 18 ENDBRANCH 1 16 TORSDOF 7