REMARK Name = BDB024938 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.455 1.183 -0.761 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.268 1.492 -1.449 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.212 2.682 -2.334 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.060 2.477 -3.602 0.00 0.00 +0.028 C ATOM 5 C LIG 1 2.801 3.088 -2.790 0.00 0.00 +0.027 C ATOM 6 C LIG 1 1.802 2.905 -1.671 0.00 0.00 +0.041 C ATOM 7 C LIG 1 1.813 1.453 -1.294 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.625 0.752 -1.000 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.666 1.202 -1.023 0.00 0.00 -0.229 NA ATOM 10 C LIG 1 -1.426 0.191 -0.626 0.00 0.00 +0.144 A ATOM 11 N LIG 1 -0.659 -0.944 -0.424 0.00 0.00 -0.322 N ATOM 12 C LIG 1 0.667 -0.582 -0.625 0.00 0.00 +0.070 A ATOM 13 C LIG 1 1.875 -1.278 -0.518 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.053 -0.573 -0.799 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.049 0.776 -1.179 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.617 0.261 0.031 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.058 -2.297 -0.038 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -2.292 -2.873 -0.751 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -2.484 -4.373 -0.447 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -2.087 -4.752 0.988 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -2.107 -3.556 1.933 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -1.127 -2.469 1.490 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -1.709 -5.234 -1.431 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -0.746 -4.851 -2.075 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -2.177 -6.499 -1.513 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -2.947 -6.686 -0.942 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 7.680 1.820 -0.336 0.00 0.00 +0.282 C ATOM 28 O LIG 1 6.457 2.074 -1.030 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.921 0.333 -0.493 0.00 0.00 +0.214 C BRANCH 29 30 ATOM 30 C LIG 1 -3.532 0.202 0.886 0.00 0.00 +0.033 A ATOM 31 C LIG 1 -2.971 0.755 2.051 0.00 0.00 +0.127 A ATOM 32 C LIG 1 -3.593 0.593 3.298 0.00 0.00 +0.049 A ATOM 33 C LIG 1 -4.810 -0.077 3.392 0.00 0.00 +0.042 A ATOM 34 C LIG 1 -5.396 -0.582 2.241 0.00 0.00 +0.124 A ATOM 35 F LIG 1 -6.569 -1.223 2.324 0.00 0.00 -0.205 F ATOM 36 C LIG 1 -4.779 -0.445 1.002 0.00 0.00 +0.048 A BRANCH 31 37 ATOM 37 O LIG 1 -1.757 1.390 1.963 0.00 0.00 -0.488 OA BRANCH 37 38 ATOM 38 C LIG 1 -1.720 2.700 2.567 0.00 0.00 +0.174 C ATOM 39 C LIG 1 -2.331 3.837 1.793 0.00 0.00 +0.048 C ATOM 40 C LIG 1 -0.840 3.688 1.846 0.00 0.00 +0.048 C ENDBRANCH 37 38 ENDBRANCH 31 37 ENDBRANCH 29 30 BRANCH 29 41 ATOM 41 O LIG 1 -3.273 1.636 -0.981 0.00 0.00 -0.379 OA ATOM 42 H LIG 1 -2.413 2.062 -1.183 0.00 0.00 +0.211 HD ENDBRANCH 29 41 ENDBRANCH 10 29 TORSDOF 9