REMARK Name = BDB002405 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.347 0.270 -0.810 0.00 0.00 +0.241 C ATOM 2 N LIG 1 0.926 1.215 -1.761 0.00 0.00 -0.288 N ATOM 3 C LIG 1 -0.496 1.578 -1.791 0.00 0.00 +0.162 C ATOM 4 C LIG 1 -0.537 2.860 -0.974 0.00 0.00 +0.033 C ATOM 5 C LIG 1 0.706 3.580 -1.493 0.00 0.00 +0.021 C ATOM 6 C LIG 1 1.705 2.453 -1.783 0.00 0.00 +0.109 C ATOM 7 O LIG 1 0.608 -0.157 0.083 0.00 0.00 -0.273 OA ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 -1.535 0.460 -1.533 0.00 0.00 +0.234 C ATOM 9 N LIG 1 -2.601 0.811 -0.736 0.00 0.00 -0.303 N ATOM 10 H LIG 1 -2.519 1.627 -0.148 0.00 0.00 +0.150 HD ATOM 11 O LIG 1 -1.438 -0.645 -2.067 0.00 0.00 -0.274 OA BRANCH 9 12 ATOM 12 C LIG 1 -3.568 -0.176 -0.278 0.00 0.00 +0.134 C BRANCH 12 13 ATOM 13 C LIG 1 -4.978 0.109 -0.799 0.00 0.00 -0.023 A ATOM 14 C LIG 1 -5.371 1.364 -1.294 0.00 0.00 +0.006 A ATOM 15 C LIG 1 -6.679 1.579 -1.738 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -7.613 0.547 -1.691 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -7.242 -0.703 -1.202 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -5.936 -0.921 -0.760 0.00 0.00 +0.006 A ENDBRANCH 12 13 BRANCH 12 19 ATOM 19 C LIG 1 -3.458 -0.276 1.243 0.00 0.00 -0.023 A ATOM 20 C LIG 1 -2.396 -1.015 1.796 0.00 0.00 +0.006 A ATOM 21 C LIG 1 -2.224 -1.099 3.178 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -3.104 -0.439 4.031 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -4.153 0.309 3.503 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -4.325 0.398 2.119 0.00 0.00 +0.006 A ENDBRANCH 12 19 ENDBRANCH 9 12 ENDBRANCH 3 8 BRANCH 1 25 ATOM 25 C LIG 1 2.792 -0.279 -1.003 0.00 0.00 +0.190 C BRANCH 25 26 ATOM 26 C LIG 1 2.883 -1.414 -2.012 0.00 0.00 -0.018 A ATOM 27 C LIG 1 1.807 -2.269 -2.297 0.00 0.00 +0.006 A ATOM 28 C LIG 1 1.951 -3.312 -3.215 0.00 0.00 +0.000 A ATOM 29 C LIG 1 3.173 -3.524 -3.851 0.00 0.00 +0.000 A ATOM 30 C LIG 1 4.256 -2.696 -3.568 0.00 0.00 +0.000 A ATOM 31 C LIG 1 4.114 -1.651 -2.654 0.00 0.00 +0.006 A ENDBRANCH 25 26 BRANCH 25 33 ATOM 32 C LIG 1 3.802 0.131 1.200 0.00 0.00 +0.231 C ATOM 33 N LIG 1 3.257 -0.758 0.293 0.00 0.00 -0.299 N ATOM 34 H LIG 1 2.718 -1.528 0.671 0.00 0.00 +0.150 HD ATOM 35 O LIG 1 4.057 1.291 0.884 0.00 0.00 -0.274 OA BRANCH 32 36 ATOM 36 C LIG 1 4.020 -0.479 2.612 0.00 0.00 +0.137 C ATOM 37 C LIG 1 4.888 -1.737 2.560 0.00 0.00 +0.034 C BRANCH 36 39 ATOM 38 C LIG 1 5.880 0.950 3.386 0.00 0.00 +0.101 C ATOM 39 N LIG 1 4.504 0.518 3.594 0.00 0.00 -0.309 NA ATOM 40 H LIG 1 4.424 0.126 4.531 0.00 0.00 +0.122 HD ENDBRANCH 36 39 ENDBRANCH 32 36 ENDBRANCH 25 33 ENDBRANCH 1 25 TORSDOF 9