REMARK Name = BDB010352 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.977 -0.500 0.897 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.585 -0.411 0.913 0.00 0.00 +0.129 A ATOM 3 C LIG 1 0.129 -0.931 1.982 0.00 0.00 +0.185 A ATOM 4 N LIG 1 1.472 -0.792 1.817 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 1.619 -0.172 0.673 0.00 0.00 +0.201 A ATOM 6 N LIG 1 -0.429 -1.516 3.054 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 -1.766 -1.528 2.977 0.00 0.00 +0.203 A ATOM 8 N LIG 1 0.394 0.123 0.102 0.00 0.00 -0.307 N ATOM 9 N LIG 1 -2.543 -1.062 1.982 0.00 0.00 -0.208 NA ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 2.784 0.191 0.064 0.00 0.00 -0.298 N ATOM 11 C LIG 1 3.613 -0.892 -0.539 0.00 0.00 +0.079 C ATOM 12 C LIG 1 4.439 -1.652 0.519 0.00 0.00 +0.010 C ATOM 13 C LIG 1 5.378 -2.696 -0.119 0.00 0.00 +0.005 C ATOM 14 C LIG 1 4.911 -3.214 -1.478 0.00 0.00 +0.000 C ATOM 15 C LIG 1 3.397 -3.239 -1.579 0.00 0.00 +0.002 C ATOM 16 C LIG 1 5.261 -0.682 1.384 0.00 0.00 +0.007 C ATOM 17 C LIG 1 4.402 0.440 1.953 0.00 0.00 +0.019 C ATOM 18 C LIG 1 2.795 -1.839 -1.446 0.00 0.00 +0.023 C ATOM 19 C LIG 1 3.601 1.137 0.856 0.00 0.00 +0.108 C ENDBRANCH 5 10 BRANCH 7 20 ATOM 20 C LIG 1 -2.456 -2.149 4.129 0.00 0.00 +0.220 A ATOM 21 N LIG 1 -1.725 -2.624 5.152 0.00 0.00 -0.269 N ATOM 22 H LIG 1 -0.722 -2.611 5.239 0.00 0.00 +0.174 HD ATOM 23 C LIG 1 -2.586 -3.127 6.045 0.00 0.00 +0.440 A ATOM 24 O LIG 1 -2.294 -3.650 7.108 0.00 0.00 -0.221 OA ATOM 25 O LIG 1 -3.861 -2.958 5.564 0.00 0.00 -0.295 OA ATOM 26 N LIG 1 -3.730 -2.307 4.293 0.00 0.00 -0.051 NA ENDBRANCH 7 20 BRANCH 1 27 ATOM 27 N LIG 1 -2.758 -0.042 -0.150 0.00 0.00 -0.324 N ATOM 28 H LIG 1 -2.307 -0.147 -1.048 0.00 0.00 +0.148 HD BRANCH 27 30 ATOM 29 C LIG 1 -4.962 0.460 0.875 0.00 0.00 +0.028 C ATOM 30 C LIG 1 -4.204 -0.292 -0.218 0.00 0.00 +0.072 C BRANCH 30 31 ATOM 31 C LIG 1 -4.576 -1.783 -0.236 0.00 0.00 +0.009 C ATOM 32 C LIG 1 -3.983 -2.640 -1.391 0.00 0.00 +0.005 C ATOM 33 C LIG 1 -5.289 -2.406 -2.170 0.00 0.00 +0.001 C ATOM 34 C LIG 1 -5.975 -2.134 -0.819 0.00 0.00 +0.005 C ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 1 27 BRANCH 8 35 ATOM 35 C LIG 1 0.201 0.847 -1.143 0.00 0.00 +0.128 C BRANCH 35 36 ATOM 36 C LIG 1 -0.365 2.270 -0.967 0.00 0.00 +0.009 C ATOM 37 C LIG 1 -0.840 2.844 -2.319 0.00 0.00 +0.005 C ATOM 38 C LIG 1 0.203 3.749 -2.966 0.00 0.00 +0.003 C ATOM 39 C LIG 1 0.553 4.959 -2.079 0.00 0.00 -0.014 C ATOM 40 C LIG 1 -0.259 6.194 -2.472 0.00 0.00 +0.007 C ATOM 41 C LIG 1 0.372 4.661 -0.580 0.00 0.00 +0.003 C ATOM 42 C LIG 1 0.653 3.196 -0.272 0.00 0.00 +0.005 C ENDBRANCH 35 36 ENDBRANCH 8 35 TORSDOF 7