REMARK Name = BDB064279 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.139 -2.706 1.866 0.00 0.00 -0.268 N ATOM 2 H LIG 1 0.252 -3.634 1.927 0.00 0.00 +0.156 HD ENDROOT BRANCH 1 7 ATOM 3 C LIG 1 -5.085 -3.436 -0.686 0.00 0.00 +0.047 C ATOM 4 C LIG 1 -3.769 -3.177 -0.029 0.00 0.00 -0.006 A ATOM 5 C LIG 1 -3.243 -1.917 0.208 0.00 0.00 +0.079 A ATOM 6 N LIG 1 -2.061 -1.738 0.838 0.00 0.00 -0.214 NA ATOM 7 C LIG 1 -1.352 -2.815 1.190 0.00 0.00 +0.221 A ATOM 8 N LIG 1 -1.775 -4.071 0.984 0.00 0.00 -0.222 NA ATOM 9 C LIG 1 -2.967 -4.222 0.378 0.00 0.00 +0.120 A BRANCH 5 10 ATOM 10 C LIG 1 -3.909 -0.658 -0.172 0.00 0.00 +0.002 A ATOM 11 C LIG 1 -4.192 0.308 0.813 0.00 0.00 +0.027 A ATOM 12 C LIG 1 -4.823 1.508 0.442 0.00 0.00 +0.040 A ATOM 13 C LIG 1 -5.172 1.778 -0.883 0.00 0.00 +0.078 A ATOM 14 N LIG 1 -5.792 2.998 -1.099 0.00 0.00 -0.247 NA ATOM 15 C LIG 1 -5.901 3.640 0.042 0.00 0.00 +0.157 A ATOM 16 C LIG 1 -4.871 0.819 -1.868 0.00 0.00 +0.029 A ATOM 17 S LIG 1 -5.289 2.843 1.427 0.00 0.00 -0.075 S ATOM 18 C LIG 1 -4.241 -0.379 -1.505 0.00 0.00 +0.012 A ENDBRANCH 5 10 ENDBRANCH 1 7 BRANCH 1 19 ATOM 19 C LIG 1 0.829 -1.701 1.733 0.00 0.00 +0.125 A ATOM 20 N LIG 1 0.716 -0.732 0.799 0.00 0.00 -0.239 NA ATOM 21 C LIG 1 1.670 0.229 0.746 0.00 0.00 +0.126 A ATOM 22 C LIG 1 2.784 0.252 1.565 0.00 0.00 +0.055 A ATOM 23 C LIG 1 2.893 -0.731 2.541 0.00 0.00 +0.018 A ATOM 24 C LIG 1 1.907 -1.715 2.623 0.00 0.00 +0.044 A BRANCH 22 25 ATOM 25 C LIG 1 3.793 1.322 1.470 0.00 0.00 +0.248 C ATOM 26 N LIG 1 4.345 1.631 0.232 0.00 0.00 -0.295 N ATOM 27 C LIG 1 5.283 2.753 0.158 0.00 0.00 +0.123 C ATOM 28 C LIG 1 5.438 3.273 -1.280 0.00 0.00 +0.100 C ATOM 29 N LIG 1 5.873 2.260 -2.259 0.00 0.00 -0.313 NA ATOM 30 H LIG 1 5.434 2.465 -3.157 0.00 0.00 +0.122 HD ATOM 31 C LIG 1 5.541 0.891 -1.837 0.00 0.00 +0.100 C ATOM 32 C LIG 1 4.282 0.769 -0.957 0.00 0.00 +0.123 C ATOM 33 O LIG 1 4.108 1.899 2.509 0.00 0.00 -0.270 OA ENDBRANCH 22 25 ENDBRANCH 1 19 TORSDOF 4