REMARK Name = BDB055147 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.658 0.009 -0.077 0.00 0.00 +0.236 C ATOM 2 N LIG 1 -0.081 -1.092 -0.451 0.00 0.00 -0.286 N ATOM 3 C LIG 1 -1.042 -1.008 -1.553 0.00 0.00 +0.185 C ATOM 4 C LIG 1 -1.227 -2.462 -1.989 0.00 0.00 +0.035 C ATOM 5 C LIG 1 -1.003 -3.245 -0.698 0.00 0.00 +0.021 C ATOM 6 C LIG 1 0.104 -2.464 -0.006 0.00 0.00 +0.109 C ATOM 7 O LIG 1 0.542 1.086 -0.668 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 9 ATOM 8 C LIG 1 0.808 0.008 2.432 0.00 0.00 +0.038 C ATOM 9 C LIG 1 1.597 -0.140 1.136 0.00 0.00 +0.156 C BRANCH 9 10 ATOM 10 N LIG 1 2.627 0.882 1.048 0.00 0.00 -0.303 N ATOM 11 H LIG 1 2.388 1.786 0.638 0.00 0.00 +0.149 HD ATOM 12 C LIG 1 3.863 0.771 1.631 0.00 0.00 +0.227 C ATOM 13 O LIG 1 4.234 -0.230 2.239 0.00 0.00 -0.274 OA BRANCH 12 14 ATOM 14 C LIG 1 4.747 2.015 1.479 0.00 0.00 +0.174 C BRANCH 14 15 ATOM 15 N LIG 1 4.200 2.956 0.481 0.00 0.00 -0.322 NA ATOM 16 H LIG 1 4.237 2.510 -0.437 0.00 0.00 +0.119 HD ATOM 17 H LIG 1 4.822 3.762 0.422 0.00 0.00 +0.119 HD ENDBRANCH 14 15 ENDBRANCH 12 14 ENDBRANCH 9 10 ENDBRANCH 1 9 BRANCH 3 18 ATOM 18 C LIG 1 -2.378 -0.413 -1.083 0.00 0.00 +0.328 C ATOM 19 O LIG 1 -2.748 -0.325 0.082 0.00 0.00 -0.249 OA BRANCH 18 20 ATOM 20 O LIG 1 -3.141 -0.073 -2.164 0.00 0.00 -0.452 OA BRANCH 20 21 ATOM 21 C LIG 1 -4.413 0.484 -1.826 0.00 0.00 +0.352 C BRANCH 21 22 ATOM 22 C LIG 1 -4.331 1.918 -1.335 0.00 0.00 +0.343 C ATOM 23 O LIG 1 -3.357 2.652 -1.355 0.00 0.00 -0.247 OA BRANCH 22 24 ATOM 24 O LIG 1 -5.516 2.372 -0.874 0.00 0.00 -0.478 OA ATOM 25 H LIG 1 -5.311 3.285 -0.578 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 18 20 ENDBRANCH 3 18 TORSDOF 9