REMARK Name = BDB022842 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.285 0.707 2.116 0.00 0.00 +0.014 C ATOM 2 C LIG 1 -0.817 -0.094 0.885 0.00 0.00 -0.003 C ATOM 3 C LIG 1 -1.416 -1.522 0.870 0.00 0.00 +0.149 C ATOM 4 C LIG 1 -2.786 -1.412 0.164 0.00 0.00 +0.151 C ATOM 5 C LIG 1 -2.856 0.014 -0.422 0.00 0.00 +0.056 C ATOM 6 C LIG 1 -1.400 0.488 -0.419 0.00 0.00 +0.020 C ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -3.554 0.068 -1.744 0.00 0.00 +0.022 A ATOM 8 C LIG 1 -4.800 -0.458 -2.031 0.00 0.00 +0.164 A ATOM 9 N LIG 1 -5.045 -0.141 -3.336 0.00 0.00 -0.183 N ATOM 10 C LIG 1 -6.230 -0.542 -3.966 0.00 0.00 +0.217 A ATOM 11 N LIG 1 -7.093 -1.235 -3.281 0.00 0.00 -0.203 NA ATOM 12 C LIG 1 -6.798 -1.510 -1.957 0.00 0.00 +0.227 A ATOM 13 N LIG 1 -4.043 0.525 -3.950 0.00 0.00 -0.170 NA ATOM 14 N LIG 1 -5.716 -1.163 -1.314 0.00 0.00 -0.216 NA ATOM 15 C LIG 1 -3.149 0.673 -2.964 0.00 0.00 +0.141 A BRANCH 10 16 ATOM 16 N LIG 1 -6.432 -0.209 -5.281 0.00 0.00 -0.327 N ATOM 17 H LIG 1 -7.077 -0.810 -5.779 0.00 0.00 +0.145 HD ATOM 18 H LIG 1 -5.589 0.045 -5.792 0.00 0.00 +0.145 HD ENDBRANCH 10 16 ENDBRANCH 5 7 BRANCH 3 19 ATOM 19 O LIG 1 -1.526 -2.089 2.167 0.00 0.00 -0.389 OA ATOM 20 H LIG 1 -2.490 -2.126 2.346 0.00 0.00 +0.210 HD ENDBRANCH 3 19 BRANCH 4 21 ATOM 21 O LIG 1 -3.850 -1.631 1.097 0.00 0.00 -0.389 OA ATOM 22 H LIG 1 -4.675 -1.532 0.574 0.00 0.00 +0.210 HD ENDBRANCH 4 21 BRANCH 2 23 ATOM 23 C LIG 1 0.730 -0.164 0.850 0.00 0.00 +0.014 C BRANCH 23 24 ATOM 24 C LIG 1 1.434 1.197 0.773 0.00 0.00 +0.036 C BRANCH 24 25 ATOM 25 C LIG 1 2.930 1.039 0.642 0.00 0.00 -0.045 A ATOM 26 C LIG 1 3.729 0.888 1.787 0.00 0.00 +0.032 A ATOM 27 C LIG 1 5.107 0.726 1.713 0.00 0.00 +0.073 A ATOM 28 C LIG 1 5.705 0.710 0.437 0.00 0.00 +0.001 A ATOM 29 C LIG 1 7.092 0.549 0.368 0.00 0.00 +0.013 A ATOM 30 C LIG 1 7.825 0.410 1.542 0.00 0.00 +0.044 A ATOM 31 C LIG 1 7.151 0.430 2.751 0.00 0.00 +0.117 A ATOM 32 C LIG 1 4.918 0.853 -0.718 0.00 0.00 +0.010 A ATOM 33 N LIG 1 5.821 0.590 2.846 0.00 0.00 -0.232 NA ATOM 34 C LIG 1 3.537 1.014 -0.615 0.00 0.00 +0.004 A BRANCH 31 35 ATOM 35 N LIG 1 7.849 0.311 3.950 0.00 0.00 -0.343 N ATOM 36 H LIG 1 8.413 -0.531 3.968 0.00 0.00 +0.144 HD ATOM 37 H LIG 1 7.151 0.311 4.692 0.00 0.00 +0.144 HD ENDBRANCH 31 35 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 2 23 TORSDOF 8