REMARK Name = BDB024093 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.295 -1.315 1.534 0.00 0.00 +0.172 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.718 -2.095 0.296 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -2.357 -3.337 0.455 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -2.756 -4.082 -0.656 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -2.527 -3.596 -1.941 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.907 -2.362 -2.117 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.510 -1.613 -1.007 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.014 -0.439 1.367 0.00 0.00 +0.239 C ATOM 9 N LIG 1 1.059 -1.144 0.834 0.00 0.00 -0.284 N ATOM 10 H LIG 1 0.878 -2.107 0.571 0.00 0.00 +0.155 HD ATOM 11 O LIG 1 0.020 0.733 1.741 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 2.359 -0.671 0.568 0.00 0.00 +0.033 A ATOM 13 C LIG 1 2.793 0.626 0.838 0.00 0.00 +0.024 A ATOM 14 C LIG 1 4.107 1.014 0.539 0.00 0.00 +0.010 A ATOM 15 C LIG 1 5.012 0.113 -0.033 0.00 0.00 -0.015 A ATOM 16 C LIG 1 4.573 -1.187 -0.305 0.00 0.00 +0.010 A ATOM 17 C LIG 1 3.261 -1.575 -0.006 0.00 0.00 +0.024 A BRANCH 15 18 ATOM 18 C LIG 1 6.375 0.507 -0.350 0.00 0.00 +0.020 A ATOM 19 C LIG 1 7.095 1.490 0.300 0.00 0.00 +0.116 A ATOM 20 N LIG 1 8.322 1.527 -0.297 0.00 0.00 -0.274 N ATOM 21 C LIG 1 9.425 2.395 0.038 0.00 0.00 +0.172 C ATOM 22 N LIG 1 8.462 0.634 -1.292 0.00 0.00 -0.179 NA ATOM 23 C LIG 1 7.278 0.016 -1.323 0.00 0.00 +0.142 A ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 24 ATOM 24 N LIG 1 -2.398 -0.561 2.192 0.00 0.00 -0.299 NA ATOM 25 H LIG 1 -1.952 -0.057 2.963 0.00 0.00 +0.123 HD BRANCH 24 27 ATOM 26 C LIG 1 -3.252 1.734 2.137 0.00 0.00 +0.024 C ATOM 27 C LIG 1 -3.071 0.437 1.329 0.00 0.00 +0.056 C BRANCH 27 28 ATOM 28 C LIG 1 -4.448 -0.114 0.882 0.00 0.00 +0.053 C BRANCH 28 29 ATOM 29 C LIG 1 -5.157 0.756 -0.134 0.00 0.00 -0.046 A ATOM 30 C LIG 1 -4.739 0.769 -1.472 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -5.388 1.574 -2.409 0.00 0.00 +0.020 A ATOM 32 C LIG 1 -6.460 2.370 -2.014 0.00 0.00 +0.041 A ATOM 33 CL LIG 1 -7.260 3.363 -3.169 0.00 0.00 -0.084 Cl ATOM 34 C LIG 1 -6.890 2.366 -0.689 0.00 0.00 +0.020 A ATOM 35 C LIG 1 -6.241 1.560 0.249 0.00 0.00 +0.005 A ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 1 24 TORSDOF 8