REMARK Name = BDB000141 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.243 -1.843 -0.770 0.00 0.00 +0.223 C ATOM 2 N LIG 1 4.443 -0.725 -0.748 0.00 0.00 -0.291 N ATOM 3 C LIG 1 3.003 -0.892 -0.423 0.00 0.00 +0.148 C ATOM 4 C LIG 1 2.522 0.487 -0.521 0.00 0.00 +0.034 A ATOM 5 C LIG 1 3.564 1.375 -0.775 0.00 0.00 +0.087 A ATOM 6 N LIG 1 3.183 2.642 -0.882 0.00 0.00 -0.175 NA ATOM 7 N LIG 1 1.839 2.547 -0.681 0.00 0.00 -0.263 N ATOM 8 H LIG 1 1.260 3.383 -0.712 0.00 0.00 +0.190 HD ATOM 9 C LIG 1 1.395 1.254 -0.458 0.00 0.00 +0.126 A ATOM 10 C LIG 1 4.870 0.701 -0.873 0.00 0.00 +0.165 C ATOM 11 O LIG 1 4.764 -2.953 -0.507 0.00 0.00 -0.275 OA ENDROOT BRANCH 9 12 ATOM 12 N LIG 1 0.079 0.908 -0.230 0.00 0.00 -0.266 N ATOM 13 H LIG 1 -0.141 -0.072 -0.117 0.00 0.00 +0.157 HD ATOM 14 C LIG 1 -0.930 1.858 -0.240 0.00 0.00 +0.249 C ATOM 15 O LIG 1 -0.763 3.052 -0.480 0.00 0.00 -0.270 OA BRANCH 14 16 ATOM 16 C LIG 1 -2.302 1.348 0.032 0.00 0.00 +0.037 A ATOM 17 C LIG 1 -3.385 1.997 -0.559 0.00 0.00 +0.015 A ATOM 18 C LIG 1 -4.691 1.544 -0.328 0.00 0.00 +0.024 A ATOM 19 C LIG 1 -4.964 0.445 0.502 0.00 0.00 +0.030 A ATOM 20 C LIG 1 -3.854 -0.179 1.096 0.00 0.00 +0.024 A ATOM 21 C LIG 1 -2.541 0.262 0.876 0.00 0.00 +0.015 A BRANCH 19 22 ATOM 22 N LIG 1 -6.256 0.001 0.721 0.00 0.00 -0.327 N ATOM 23 C LIG 1 -6.543 -1.341 1.256 0.00 0.00 +0.120 C ATOM 24 C LIG 1 -7.960 -1.800 0.840 0.00 0.00 +0.103 C ATOM 25 N LIG 1 -9.046 -0.925 1.329 0.00 0.00 -0.302 NA ATOM 26 C LIG 1 -10.229 -1.054 0.482 0.00 0.00 +0.105 C ATOM 27 C LIG 1 -8.598 0.479 1.440 0.00 0.00 +0.103 C ATOM 28 C LIG 1 -7.419 0.885 0.524 0.00 0.00 +0.120 C ENDBRANCH 19 22 ENDBRANCH 14 16 ENDBRANCH 9 12 BRANCH 1 30 ATOM 29 C LIG 1 6.815 -1.534 -2.701 0.00 0.00 +0.022 C ATOM 30 C LIG 1 6.718 -1.745 -1.188 0.00 0.00 +0.102 C BRANCH 30 31 ATOM 31 C LIG 1 7.558 -0.832 -0.306 0.00 0.00 -0.036 A ATOM 32 C LIG 1 8.330 0.224 -0.814 0.00 0.00 +0.004 A ATOM 33 C LIG 1 9.084 1.032 0.041 0.00 0.00 +0.000 A ATOM 34 C LIG 1 9.087 0.793 1.412 0.00 0.00 +0.000 A ATOM 35 C LIG 1 8.341 -0.260 1.933 0.00 0.00 +0.000 A ATOM 36 C LIG 1 7.586 -1.068 1.081 0.00 0.00 +0.004 A ENDBRANCH 30 31 ENDBRANCH 1 30 TORSDOF 5