REMARK Name = BDB025284 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.204 0.753 0.007 0.00 0.00 +0.026 A ATOM 2 C LIG 1 -2.581 -0.591 0.086 0.00 0.00 +0.027 A ATOM 3 C LIG 1 -3.942 -0.945 -0.044 0.00 0.00 +0.010 A ATOM 4 C LIG 1 -4.636 -2.191 -0.002 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -5.986 -1.916 -0.180 0.00 0.00 +0.142 A ATOM 6 N LIG 1 -6.125 -0.558 -0.351 0.00 0.00 -0.313 N ATOM 7 N LIG 1 -7.000 -2.807 -0.181 0.00 0.00 -0.237 NA ATOM 8 C LIG 1 -6.591 -4.083 -0.004 0.00 0.00 +0.113 A ATOM 9 C LIG 1 -5.279 -4.495 0.175 0.00 0.00 +0.020 A ATOM 10 C LIG 1 -4.267 -3.535 0.182 0.00 0.00 +0.013 A ATOM 11 C LIG 1 -4.891 0.065 -0.253 0.00 0.00 +0.052 A ATOM 12 C LIG 1 -4.517 1.417 -0.334 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -3.162 1.741 -0.200 0.00 0.00 +0.019 A ENDROOT BRANCH 6 14 ATOM 14 C LIG 1 -7.428 0.085 -0.525 0.00 0.00 +0.176 C ATOM 15 C LIG 1 -7.481 1.001 -1.738 0.00 0.00 +0.242 C ATOM 16 O LIG 1 -6.866 0.804 -2.784 0.00 0.00 -0.273 OA ATOM 17 N LIG 1 -8.337 2.077 -1.648 0.00 0.00 -0.255 N ATOM 18 H LIG 1 -8.389 2.667 -2.469 0.00 0.00 +0.158 HD ATOM 19 C LIG 1 -9.235 2.364 -0.650 0.00 0.00 +0.219 C ATOM 20 O LIG 1 -10.033 3.289 -0.762 0.00 0.00 -0.275 OA ATOM 21 C LIG 1 -9.232 1.437 0.542 0.00 0.00 +0.099 C ATOM 22 C LIG 1 -7.861 0.815 0.749 0.00 0.00 +0.044 C ENDBRANCH 6 14 BRANCH 1 24 ATOM 23 C LIG 1 0.333 1.414 0.248 0.00 0.00 -0.069 C ATOM 24 C LIG 1 -0.825 1.112 0.138 0.00 0.00 -0.064 C BRANCH 23 25 ATOM 25 C LIG 1 1.746 1.781 0.381 0.00 0.00 +0.248 C BRANCH 25 26 ATOM 26 O LIG 1 2.168 1.703 1.744 0.00 0.00 -0.367 OA BRANCH 26 27 ATOM 27 C LIG 1 2.444 0.382 2.203 0.00 0.00 +0.162 C BRANCH 27 28 ATOM 28 C LIG 1 3.785 -0.151 1.704 0.00 0.00 +0.047 C BRANCH 28 29 ATOM 29 C LIG 1 4.935 0.813 2.000 0.00 0.00 +0.113 C BRANCH 29 31 ATOM 30 C LIG 1 6.950 -0.609 2.371 0.00 0.00 +0.135 C ATOM 31 N LIG 1 6.215 0.305 1.513 0.00 0.00 -0.270 N ATOM 32 C LIG 1 6.523 0.479 0.170 0.00 0.00 +0.403 C ATOM 33 O LIG 1 5.829 1.128 -0.603 0.00 0.00 -0.226 OA BRANCH 32 34 ATOM 34 O LIG 1 7.667 -0.160 -0.182 0.00 0.00 -0.445 OA BRANCH 34 35 ATOM 35 C LIG 1 8.168 -0.107 -1.542 0.00 0.00 +0.107 C ATOM 36 C LIG 1 8.523 1.327 -1.952 0.00 0.00 +0.055 C ATOM 37 C LIG 1 7.189 -0.760 -2.524 0.00 0.00 +0.055 C ATOM 38 C LIG 1 9.459 -0.941 -1.512 0.00 0.00 +0.055 C ENDBRANCH 34 35 ENDBRANCH 32 34 ENDBRANCH 29 31 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 23 25 ENDBRANCH 1 24 TORSDOF 10