REMARK Name = BDB025266 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.889 1.293 0.516 0.00 0.00 +0.028 A ATOM 2 C LIG 1 2.698 -0.055 0.186 0.00 0.00 +0.033 A ATOM 3 C LIG 1 1.398 -0.603 0.072 0.00 0.00 +0.011 A ATOM 4 C LIG 1 0.908 -1.898 -0.271 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -0.479 -1.837 -0.231 0.00 0.00 +0.142 A ATOM 6 N LIG 1 -0.838 -0.565 0.150 0.00 0.00 -0.313 N ATOM 7 N LIG 1 -1.342 -2.835 -0.519 0.00 0.00 -0.237 NA ATOM 8 C LIG 1 -0.728 -3.993 -0.851 0.00 0.00 +0.113 A ATOM 9 C LIG 1 0.643 -4.192 -0.919 0.00 0.00 +0.020 A ATOM 10 C LIG 1 1.493 -3.127 -0.627 0.00 0.00 +0.013 A ATOM 11 C LIG 1 0.292 0.215 0.328 0.00 0.00 +0.052 A ATOM 12 C LIG 1 0.454 1.556 0.705 0.00 0.00 +0.028 A ATOM 13 C LIG 1 1.758 2.063 0.805 0.00 0.00 +0.025 A ENDROOT BRANCH 6 14 ATOM 14 C LIG 1 -2.232 -0.137 0.256 0.00 0.00 +0.176 C ATOM 15 C LIG 1 -2.558 0.501 1.599 0.00 0.00 +0.242 C ATOM 16 O LIG 1 -2.050 0.168 2.667 0.00 0.00 -0.273 OA ATOM 17 N LIG 1 -3.545 1.464 1.589 0.00 0.00 -0.255 N ATOM 18 H LIG 1 -3.776 1.862 2.490 0.00 0.00 +0.158 HD ATOM 19 C LIG 1 -4.358 1.831 0.546 0.00 0.00 +0.219 C ATOM 20 O LIG 1 -5.293 2.607 0.715 0.00 0.00 -0.275 OA ATOM 21 C LIG 1 -4.085 1.171 -0.783 0.00 0.00 +0.099 C ATOM 22 C LIG 1 -2.623 0.777 -0.908 0.00 0.00 +0.044 C ENDBRANCH 6 14 BRANCH 1 24 ATOM 23 C LIG 1 5.320 1.247 0.113 0.00 0.00 +0.125 C ATOM 24 N LIG 1 4.151 1.871 0.704 0.00 0.00 -0.347 N ATOM 25 H LIG 1 4.129 2.878 0.566 0.00 0.00 +0.146 HD ENDBRANCH 1 24 TORSDOF 2