REMARK Name = BDB050793 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.027 -1.891 -1.342 0.00 0.00 -0.030 A ATOM 2 C LIG 1 -2.654 -2.174 -0.004 0.00 0.00 +0.026 A ATOM 3 C LIG 1 -1.312 -2.283 0.386 0.00 0.00 +0.031 A ATOM 4 C LIG 1 -1.200 -2.568 1.794 0.00 0.00 +0.020 A ATOM 5 C LIG 1 -2.413 -2.671 2.426 0.00 0.00 +0.046 A ATOM 6 C LIG 1 -0.289 -2.112 -0.587 0.00 0.00 +0.129 A ATOM 7 C LIG 1 -0.650 -1.851 -1.912 0.00 0.00 +0.046 A ATOM 8 S LIG 1 -3.705 -2.432 1.350 0.00 0.00 -0.096 S ATOM 9 C LIG 1 -1.988 -1.744 -2.278 0.00 0.00 +0.008 A ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 -4.459 -1.726 -1.813 0.00 0.00 +0.079 C BRANCH 10 11 ATOM 11 C LIG 1 -4.831 -0.264 -2.083 0.00 0.00 +0.230 C BRANCH 11 12 ATOM 12 C LIG 1 -6.161 -0.237 -2.836 0.00 0.00 +0.334 C ATOM 13 O LIG 1 -6.333 -0.687 -3.959 0.00 0.00 -0.248 OA BRANCH 12 14 ATOM 14 O LIG 1 -7.152 0.345 -2.113 0.00 0.00 -0.479 OA ATOM 15 H LIG 1 -6.764 0.615 -1.246 0.00 0.00 +0.295 HD ENDBRANCH 12 14 ENDBRANCH 11 12 BRANCH 11 16 ATOM 16 O LIG 1 -5.045 0.458 -0.849 0.00 0.00 -0.365 OA BRANCH 16 17 ATOM 17 C LIG 1 -4.007 1.406 -0.586 0.00 0.00 +0.160 C BRANCH 17 19 ATOM 18 C LIG 1 -4.410 1.345 1.916 0.00 0.00 +0.006 C ATOM 19 C LIG 1 -4.357 2.206 0.664 0.00 0.00 +0.025 C ENDBRANCH 17 19 ENDBRANCH 16 17 ENDBRANCH 11 16 ENDBRANCH 10 11 ENDBRANCH 1 10 BRANCH 6 20 ATOM 20 O LIG 1 1.004 -2.216 -0.141 0.00 0.00 -0.491 OA BRANCH 20 21 ATOM 21 C LIG 1 2.055 -2.123 -1.108 0.00 0.00 +0.235 C BRANCH 21 22 ATOM 22 C LIG 1 3.397 -2.263 -0.391 0.00 0.00 +0.100 C BRANCH 22 23 ATOM 23 C LIG 1 3.791 -1.012 0.311 0.00 0.00 +0.086 A ATOM 24 C LIG 1 3.432 -0.546 1.558 0.00 0.00 +0.126 A ATOM 25 C LIG 1 2.569 -1.036 2.645 0.00 0.00 +0.088 C ATOM 26 O LIG 1 4.046 0.659 1.749 0.00 0.00 -0.440 OA ATOM 27 C LIG 1 4.758 0.866 0.595 0.00 0.00 +0.228 A ATOM 28 N LIG 1 4.634 -0.104 -0.292 0.00 0.00 -0.214 NA BRANCH 27 29 ATOM 29 C LIG 1 5.533 2.102 0.510 0.00 0.00 +0.037 A ATOM 30 C LIG 1 5.549 3.043 1.552 0.00 0.00 +0.013 A ATOM 31 C LIG 1 6.300 4.217 1.442 0.00 0.00 +0.001 A ATOM 32 C LIG 1 7.043 4.465 0.290 0.00 0.00 +0.000 A ATOM 33 C LIG 1 7.038 3.542 -0.753 0.00 0.00 +0.001 A ATOM 34 C LIG 1 6.288 2.369 -0.642 0.00 0.00 +0.013 A ENDBRANCH 27 29 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 6 20 TORSDOF 12