REMARK Name = BDB010368 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.992 0.245 0.087 0.00 0.00 +0.201 A ATOM 2 N LIG 1 0.625 0.078 -0.040 0.00 0.00 -0.307 N ATOM 3 C LIG 1 0.410 -1.060 -0.791 0.00 0.00 +0.129 A ATOM 4 C LIG 1 1.690 -1.470 -1.136 0.00 0.00 +0.185 A ATOM 5 N LIG 1 1.967 -2.555 -1.875 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 0.867 -3.220 -2.225 0.00 0.00 +0.203 A ATOM 7 N LIG 1 -0.421 -2.906 -1.948 0.00 0.00 -0.208 NA ATOM 8 C LIG 1 -0.692 -1.796 -1.227 0.00 0.00 +0.149 A ATOM 9 N LIG 1 2.641 -0.635 -0.638 0.00 0.00 -0.194 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 1.046 -4.458 -3.017 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -0.042 -5.167 -3.360 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -0.998 -4.961 -3.123 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 0.388 -6.230 -4.052 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -0.317 -7.110 -4.518 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 1.757 -6.164 -4.146 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 2.152 -4.977 -3.445 0.00 0.00 -0.051 NA ENDBRANCH 6 10 BRANCH 1 18 ATOM 17 C LIG 1 2.602 0.969 2.304 0.00 0.00 +0.142 C ATOM 18 N LIG 1 2.544 1.243 0.836 0.00 0.00 -0.291 N ATOM 19 C LIG 1 3.792 1.790 0.265 0.00 0.00 +0.108 C ATOM 20 C LIG 1 4.201 3.069 0.990 0.00 0.00 +0.019 C ATOM 21 C LIG 1 4.346 2.825 2.484 0.00 0.00 +0.004 C ATOM 22 C LIG 1 3.054 2.242 3.046 0.00 0.00 +0.030 C BRANCH 17 26 ATOM 23 C LIG 1 3.431 -2.530 5.535 0.00 0.00 +0.086 C ATOM 24 C LIG 1 3.712 -1.833 4.268 0.00 0.00 +0.102 A ATOM 25 O LIG 1 2.961 -0.729 4.004 0.00 0.00 -0.463 OA ATOM 26 C LIG 1 3.358 -0.240 2.790 0.00 0.00 +0.126 A ATOM 27 C LIG 1 4.360 -1.044 2.282 0.00 0.00 +0.047 A ATOM 28 C LIG 1 4.595 -2.061 3.239 0.00 0.00 +0.045 A ENDBRANCH 17 26 ENDBRANCH 1 18 BRANCH 8 29 ATOM 29 N LIG 1 -2.009 -1.464 -0.948 0.00 0.00 -0.324 N ATOM 30 H LIG 1 -2.160 -0.488 -0.748 0.00 0.00 +0.148 HD BRANCH 29 31 ATOM 31 C LIG 1 -3.078 -2.075 -1.747 0.00 0.00 +0.072 C ATOM 32 C LIG 1 -3.178 -1.361 -3.099 0.00 0.00 +0.028 C BRANCH 31 33 ATOM 33 C LIG 1 -4.410 -1.923 -0.986 0.00 0.00 +0.009 C ATOM 34 C LIG 1 -4.541 -2.752 0.328 0.00 0.00 +0.005 C ATOM 35 C LIG 1 -5.267 -3.837 -0.488 0.00 0.00 +0.001 C ATOM 36 C LIG 1 -5.629 -2.740 -1.510 0.00 0.00 +0.005 C ENDBRANCH 31 33 ENDBRANCH 29 31 ENDBRANCH 8 29 BRANCH 2 37 ATOM 37 C LIG 1 -0.389 0.966 0.496 0.00 0.00 +0.128 C BRANCH 37 38 ATOM 38 C LIG 1 -0.988 1.938 -0.544 0.00 0.00 +0.009 C ATOM 39 C LIG 1 0.061 2.964 -1.021 0.00 0.00 +0.005 C ATOM 40 C LIG 1 -0.602 4.234 -1.539 0.00 0.00 +0.003 C ATOM 41 C LIG 1 -1.365 4.958 -0.416 0.00 0.00 -0.014 C ATOM 42 C LIG 1 -2.447 5.861 -1.010 0.00 0.00 +0.007 C ATOM 43 C LIG 1 -1.958 3.986 0.619 0.00 0.00 +0.003 C ATOM 44 C LIG 1 -2.256 2.618 0.013 0.00 0.00 +0.005 C ENDBRANCH 37 38 ENDBRANCH 2 37 TORSDOF 8