REMARK Name = BDB050663 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.394 0.560 0.324 0.00 0.00 +0.197 C ATOM 2 O LIG 1 -2.758 1.648 0.764 0.00 0.00 -0.287 OA ENDROOT BRANCH 1 4 ATOM 3 C LIG 1 -4.642 -0.333 -0.351 0.00 0.00 +0.117 A ATOM 4 C LIG 1 -3.330 -0.523 0.060 0.00 0.00 +0.071 A ATOM 5 C LIG 1 -3.169 -1.942 0.191 0.00 0.00 +0.031 A ATOM 6 C LIG 1 -4.383 -2.501 -0.195 0.00 0.00 +0.136 A ATOM 7 C LIG 1 -4.649 -3.868 -0.224 0.00 0.00 +0.047 A ATOM 8 C LIG 1 -3.613 -4.717 0.176 0.00 0.00 +0.004 A ATOM 9 C LIG 1 -2.383 -4.204 0.589 0.00 0.00 +0.001 A ATOM 10 C LIG 1 -2.146 -2.821 0.607 0.00 0.00 +0.012 A ATOM 11 O LIG 1 -5.269 -1.528 -0.526 0.00 0.00 -0.459 OA BRANCH 3 12 ATOM 12 C LIG 1 -5.463 0.875 -0.643 0.00 0.00 +0.075 C BRANCH 12 13 ATOM 13 C LIG 1 -6.237 1.331 0.596 0.00 0.00 +0.007 C BRANCH 13 15 ATOM 14 C LIG 1 -6.417 3.799 -0.022 0.00 0.00 +0.004 C ATOM 15 C LIG 1 -7.162 2.520 0.328 0.00 0.00 -0.003 C ENDBRANCH 13 15 ENDBRANCH 12 13 ENDBRANCH 3 12 ENDBRANCH 1 4 BRANCH 1 16 ATOM 16 C LIG 1 -0.948 0.364 0.046 0.00 0.00 +0.023 A ATOM 17 C LIG 1 -0.015 0.951 0.908 0.00 0.00 +0.015 A ATOM 18 C LIG 1 1.357 0.803 0.673 0.00 0.00 +0.046 A ATOM 19 C LIG 1 1.803 0.079 -0.433 0.00 0.00 +0.121 A ATOM 20 C LIG 1 0.868 -0.487 -1.304 0.00 0.00 +0.046 A ATOM 21 C LIG 1 -0.503 -0.342 -1.077 0.00 0.00 +0.015 A BRANCH 19 22 ATOM 22 O LIG 1 3.107 -0.145 -0.776 0.00 0.00 -0.492 OA BRANCH 22 23 ATOM 23 C LIG 1 4.111 0.442 0.053 0.00 0.00 +0.230 C BRANCH 23 24 ATOM 24 C LIG 1 5.475 0.077 -0.529 0.00 0.00 +0.056 C BRANCH 24 25 ATOM 25 C LIG 1 6.609 0.649 0.326 0.00 0.00 +0.087 C BRANCH 25 26 ATOM 26 N LIG 1 7.941 0.446 -0.269 0.00 0.00 -0.308 NA ATOM 27 C LIG 1 8.328 -0.966 -0.295 0.00 0.00 +0.104 C ATOM 28 C LIG 1 8.944 1.217 0.472 0.00 0.00 +0.104 C ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 19 22 ENDBRANCH 1 16 TORSDOF 10