REMARK Name = BDB007882 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.283 -1.318 -0.367 0.00 0.00 +0.057 A ATOM 2 C LIG 1 -1.096 -1.341 -0.566 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -1.848 -1.345 -1.859 0.00 0.00 +0.064 C ATOM 4 N LIG 1 -1.714 -1.370 0.673 0.00 0.00 -0.342 N ATOM 5 C LIG 1 -0.754 -1.348 1.666 0.00 0.00 +0.017 A ATOM 6 C LIG 1 -1.063 -1.372 3.122 0.00 0.00 +0.063 C ATOM 7 C LIG 1 0.478 -1.318 1.046 0.00 0.00 +0.035 A ENDROOT BRANCH 1 10 ATOM 8 N LIG 1 2.562 -0.974 -1.013 0.00 0.00 -0.307 N ATOM 9 H LIG 1 2.684 -0.584 -0.091 0.00 0.00 +0.149 HD ATOM 10 C LIG 1 1.296 -1.316 -1.430 0.00 0.00 +0.246 C ATOM 11 O LIG 1 1.041 -1.579 -2.601 0.00 0.00 -0.270 OA BRANCH 8 12 ATOM 12 C LIG 1 3.630 -0.815 -1.967 0.00 0.00 +0.140 C BRANCH 12 15 ATOM 13 C LIG 1 4.472 1.997 -1.302 0.00 0.00 +0.044 C ATOM 14 C LIG 1 5.318 0.807 -0.936 0.00 0.00 -0.045 A ATOM 15 C LIG 1 4.931 -0.508 -1.266 0.00 0.00 -0.027 A ATOM 16 C LIG 1 5.756 -1.579 -0.884 0.00 0.00 +0.006 A ATOM 17 C LIG 1 6.959 -1.356 -0.214 0.00 0.00 +0.005 A ATOM 18 C LIG 1 7.367 -0.054 0.091 0.00 0.00 -0.034 A ATOM 19 C LIG 1 6.536 1.017 -0.267 0.00 0.00 +0.008 A BRANCH 18 20 ATOM 20 C LIG 1 8.656 0.191 0.832 0.00 0.00 +0.113 C BRANCH 20 21 ATOM 21 N LIG 1 8.447 0.172 2.276 0.00 0.00 -0.326 NA ATOM 22 H LIG 1 7.737 0.863 2.511 0.00 0.00 +0.119 HD ATOM 23 H LIG 1 8.045 -0.728 2.533 0.00 0.00 +0.119 HD ENDBRANCH 20 21 ENDBRANCH 18 20 ENDBRANCH 12 15 ENDBRANCH 8 12 ENDBRANCH 1 10 BRANCH 4 24 ATOM 24 C LIG 1 -3.159 -1.458 0.902 0.00 0.00 +0.177 C BRANCH 24 25 ATOM 25 C LIG 1 -3.842 -0.129 0.813 0.00 0.00 +0.069 A ATOM 26 N LIG 1 -5.186 -0.113 0.455 0.00 0.00 -0.242 NA ATOM 27 C LIG 1 -5.662 1.119 0.416 0.00 0.00 +0.109 A ATOM 28 S LIG 1 -4.504 2.328 0.828 0.00 0.00 -0.075 S ATOM 29 C LIG 1 -3.315 1.124 1.063 0.00 0.00 +0.072 A BRANCH 27 30 ATOM 30 C LIG 1 -7.057 1.450 0.055 0.00 0.00 +0.007 A ATOM 31 C LIG 1 -7.567 2.760 0.035 0.00 0.00 +0.010 A ATOM 32 C LIG 1 -8.899 3.010 -0.316 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -9.745 1.958 -0.653 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -9.263 0.653 -0.640 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -7.933 0.404 -0.290 0.00 0.00 +0.010 A ENDBRANCH 27 30 ENDBRANCH 24 25 ENDBRANCH 4 24 TORSDOF 8