REMARK Name = BDB000208 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.509 -0.531 -0.344 0.00 0.00 +0.159 C ATOM 2 C LIG 1 2.065 0.000 -0.379 0.00 0.00 +0.237 C ATOM 3 O LIG 1 1.663 0.851 0.419 0.00 0.00 -0.274 OA ATOM 4 N LIG 1 1.238 -0.564 -1.324 0.00 0.00 -0.285 N ATOM 5 C LIG 1 1.637 -1.445 -2.419 0.00 0.00 +0.077 C ATOM 6 C LIG 1 0.307 -1.788 -3.103 0.00 0.00 +0.025 C ATOM 7 C LIG 1 -0.536 -0.535 -2.876 0.00 0.00 +0.034 C ATOM 8 C LIG 1 2.442 -2.700 -2.039 0.00 0.00 +0.022 C ATOM 9 C LIG 1 2.604 -2.951 -0.542 0.00 0.00 +0.004 C ATOM 10 C LIG 1 -0.143 -0.113 -1.460 0.00 0.00 +0.162 C ATOM 11 C LIG 1 3.548 -1.973 0.166 0.00 0.00 +0.032 C ENDROOT BRANCH 1 13 ATOM 12 C LIG 1 4.973 1.420 0.007 0.00 0.00 +0.230 C ATOM 13 N LIG 1 4.296 0.337 0.532 0.00 0.00 -0.303 N ATOM 14 H LIG 1 3.901 0.469 1.457 0.00 0.00 +0.149 HD ATOM 15 O LIG 1 5.160 1.575 -1.199 0.00 0.00 -0.274 OA BRANCH 12 16 ATOM 16 C LIG 1 5.504 2.415 1.066 0.00 0.00 +0.137 C BRANCH 16 17 ATOM 17 N LIG 1 6.558 3.257 0.463 0.00 0.00 -0.320 NA ATOM 18 H LIG 1 7.260 2.634 0.059 0.00 0.00 +0.119 HD ATOM 19 H LIG 1 6.147 3.711 -0.358 0.00 0.00 +0.119 HD ENDBRANCH 16 17 BRANCH 16 21 ATOM 20 C LIG 1 4.786 4.216 2.725 0.00 0.00 +0.006 C ATOM 21 C LIG 1 4.354 3.273 1.610 0.00 0.00 +0.024 C ENDBRANCH 16 21 ENDBRANCH 12 16 ENDBRANCH 1 13 BRANCH 10 22 ATOM 22 C LIG 1 -1.069 -0.772 -0.417 0.00 0.00 +0.234 C ATOM 23 N LIG 1 -2.276 -0.123 -0.264 0.00 0.00 -0.303 N ATOM 24 H LIG 1 -2.415 0.788 -0.678 0.00 0.00 +0.150 HD ATOM 25 O LIG 1 -0.787 -1.810 0.178 0.00 0.00 -0.274 OA BRANCH 23 26 ATOM 26 C LIG 1 -3.284 -0.584 0.675 0.00 0.00 +0.134 C BRANCH 26 27 ATOM 27 C LIG 1 -4.284 -1.546 0.036 0.00 0.00 -0.023 A ATOM 28 C LIG 1 -4.985 -2.448 0.856 0.00 0.00 +0.006 A ATOM 29 C LIG 1 -5.923 -3.329 0.314 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -6.178 -3.320 -1.055 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -5.499 -2.430 -1.882 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -4.561 -1.547 -1.342 0.00 0.00 +0.006 A ENDBRANCH 26 27 BRANCH 26 33 ATOM 33 C LIG 1 -3.917 0.631 1.347 0.00 0.00 -0.023 A ATOM 34 C LIG 1 -5.067 1.262 0.847 0.00 0.00 +0.006 A ATOM 35 C LIG 1 -5.588 2.398 1.473 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -4.959 2.927 2.598 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -3.807 2.325 3.097 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -3.287 1.188 2.474 0.00 0.00 +0.006 A ENDBRANCH 26 33 ENDBRANCH 23 26 ENDBRANCH 10 22 TORSDOF 8