REMARK Name = BDB027772 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.530 0.594 -0.189 0.00 0.00 +0.180 A ATOM 2 N LIG 1 -1.676 1.922 -0.271 0.00 0.00 -0.224 NA ATOM 3 C LIG 1 -0.567 2.658 -0.144 0.00 0.00 +0.095 A ATOM 4 C LIG 1 0.695 2.099 0.056 0.00 0.00 +0.043 A ATOM 5 C LIG 1 1.821 2.956 0.144 0.00 0.00 +0.033 A ATOM 6 C LIG 1 1.638 4.324 0.053 0.00 0.00 +0.111 A ATOM 7 N LIG 1 0.433 4.891 -0.119 0.00 0.00 -0.261 NA ATOM 8 C LIG 1 0.732 0.689 0.135 0.00 0.00 +0.131 A ATOM 9 C LIG 1 -0.623 4.042 -0.217 0.00 0.00 +0.139 A ATOM 10 N LIG 1 -0.380 -0.059 0.013 0.00 0.00 -0.211 NA ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -2.111 -2.330 0.795 0.00 0.00 +0.173 C ATOM 12 N LIG 1 -2.979 -1.464 0.032 0.00 0.00 -0.264 N ATOM 13 C LIG 1 -2.749 -0.174 -0.383 0.00 0.00 +0.105 A ATOM 14 C LIG 1 -3.936 0.210 -0.990 0.00 0.00 +0.052 A ATOM 15 C LIG 1 -4.783 -0.904 -0.917 0.00 0.00 +0.135 A ATOM 16 N LIG 1 -4.205 -1.932 -0.299 0.00 0.00 -0.179 NA ENDBRANCH 1 13 BRANCH 8 17 ATOM 17 N LIG 1 2.004 0.081 0.347 0.00 0.00 -0.323 N ATOM 18 H LIG 1 2.409 0.482 1.191 0.00 0.00 +0.148 HD BRANCH 17 19 ATOM 19 C LIG 1 2.373 -1.335 0.126 0.00 0.00 +0.031 C ATOM 20 C LIG 1 1.537 -2.305 -0.667 0.00 0.00 +0.027 C ATOM 21 C LIG 1 1.614 -2.431 0.830 0.00 0.00 +0.027 C ATOM 22 C LIG 1 3.873 -1.517 0.013 0.00 0.00 +0.031 C ENDBRANCH 17 19 ENDBRANCH 8 17 TORSDOF 3