REMARK Name = BDB055062 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.959 -0.918 -0.748 0.00 0.00 +0.255 C ATOM 2 C LIG 1 0.114 -0.160 -1.560 0.00 0.00 +0.195 C ATOM 3 C LIG 1 1.171 0.198 -0.522 0.00 0.00 +0.178 C ATOM 4 C LIG 1 0.960 -0.860 0.557 0.00 0.00 +0.178 C ATOM 5 O LIG 1 -0.443 -1.180 0.565 0.00 0.00 -0.346 OA ENDROOT BRANCH 1 12 ATOM 6 O LIG 1 -5.886 1.350 -0.022 0.00 0.00 -0.268 OA ATOM 7 C LIG 1 -4.780 0.850 -0.184 0.00 0.00 +0.254 A ATOM 8 N LIG 1 -3.618 1.556 -0.083 0.00 0.00 -0.275 N ATOM 9 H LIG 1 -3.694 2.531 0.163 0.00 0.00 +0.173 HD ATOM 10 C LIG 1 -2.353 1.061 -0.260 0.00 0.00 +0.331 A ATOM 11 O LIG 1 -1.383 1.802 -0.123 0.00 0.00 -0.246 OA ATOM 12 N LIG 1 -2.269 -0.279 -0.613 0.00 0.00 -0.271 N ATOM 13 C LIG 1 -3.404 -1.069 -0.693 0.00 0.00 +0.098 A ATOM 14 C LIG 1 -4.630 -0.576 -0.504 0.00 0.00 +0.088 A ENDBRANCH 1 12 BRANCH 2 15 ATOM 15 O LIG 1 0.736 -1.026 -2.540 0.00 0.00 -0.385 OA ATOM 16 H LIG 1 0.089 -1.156 -3.259 0.00 0.00 +0.210 HD ENDBRANCH 2 15 BRANCH 3 17 ATOM 17 O LIG 1 2.494 0.136 -1.084 0.00 0.00 -0.386 OA ATOM 18 H LIG 1 2.387 -0.443 -1.876 0.00 0.00 +0.210 HD ENDBRANCH 3 17 BRANCH 4 19 ATOM 19 C LIG 1 1.385 -0.416 1.962 0.00 0.00 +0.206 C BRANCH 19 20 ATOM 20 O LIG 1 2.630 0.252 2.015 0.00 0.00 -0.284 OA BRANCH 20 21 ATOM 21 P LIG 1 3.958 -0.538 1.604 0.00 0.00 +0.472 P ATOM 22 O LIG 1 3.836 -1.983 1.271 0.00 0.00 -0.228 OA BRANCH 21 23 ATOM 23 O LIG 1 4.553 0.380 0.444 0.00 0.00 -0.303 OA ATOM 24 H LIG 1 3.911 0.404 -0.307 0.00 0.00 +0.222 HD ENDBRANCH 21 23 BRANCH 21 25 ATOM 25 O LIG 1 4.961 -0.210 2.801 0.00 0.00 -0.303 OA ATOM 26 H LIG 1 5.843 -0.576 2.618 0.00 0.00 +0.222 HD ENDBRANCH 21 25 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 4 19 TORSDOF 8