REMARK Name = BDB010550 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.410 2.023 0.914 0.00 0.00 +0.101 A ATOM 2 C LIG 1 -1.324 0.636 0.900 0.00 0.00 +0.115 A ATOM 3 C LIG 1 -1.871 -0.081 1.949 0.00 0.00 +0.184 A ATOM 4 N LIG 1 -1.718 -1.419 1.775 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 -1.115 -1.571 0.619 0.00 0.00 +0.201 A ATOM 6 N LIG 1 -2.478 0.471 3.013 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 -2.494 1.811 2.954 0.00 0.00 +0.202 A ATOM 8 N LIG 1 -0.759 -0.335 0.097 0.00 0.00 -0.308 N ATOM 9 N LIG 1 -2.002 2.602 1.983 0.00 0.00 -0.222 NA ENDROOT BRANCH 1 13 ATOM 10 C LIG 1 -1.845 3.935 -3.696 0.00 0.00 +0.044 C ATOM 11 C LIG 1 -1.113 3.838 -2.390 0.00 0.00 -0.050 A ATOM 12 C LIG 1 -1.584 2.997 -1.372 0.00 0.00 +0.013 A ATOM 13 C LIG 1 -0.928 2.915 -0.131 0.00 0.00 +0.003 A ATOM 14 C LIG 1 0.187 3.736 0.089 0.00 0.00 +0.010 A ATOM 15 C LIG 1 0.656 4.588 -0.913 0.00 0.00 +0.001 A ATOM 16 C LIG 1 0.009 4.637 -2.147 0.00 0.00 +0.003 A ENDBRANCH 1 13 BRANCH 5 17 ATOM 17 N LIG 1 -0.794 -2.749 0.022 0.00 0.00 -0.294 N ATOM 18 C LIG 1 -0.490 -3.939 0.858 0.00 0.00 +0.099 C ATOM 19 C LIG 1 -1.637 -4.367 1.781 0.00 0.00 +0.030 C ATOM 20 C LIG 1 -0.078 -5.102 -0.075 0.00 0.00 +0.182 C ATOM 21 O LIG 1 -1.099 -5.505 -0.999 0.00 0.00 -0.376 OA ATOM 22 C LIG 1 -1.937 -4.427 -1.438 0.00 0.00 +0.179 C ATOM 23 C LIG 1 -1.287 -3.040 -1.339 0.00 0.00 +0.136 C ENDBRANCH 5 17 BRANCH 7 24 ATOM 24 C LIG 1 -3.137 2.478 4.109 0.00 0.00 +0.220 A ATOM 25 N LIG 1 -3.650 1.727 5.098 0.00 0.00 -0.269 N ATOM 26 H LIG 1 -3.655 0.721 5.158 0.00 0.00 +0.174 HD ATOM 27 C LIG 1 -4.161 2.570 6.003 0.00 0.00 +0.440 A ATOM 28 O LIG 1 -4.714 2.256 7.045 0.00 0.00 -0.221 OA ATOM 29 O LIG 1 -3.958 3.855 5.563 0.00 0.00 -0.295 OA ATOM 30 N LIG 1 -3.277 3.749 4.307 0.00 0.00 -0.051 NA ENDBRANCH 7 24 BRANCH 8 31 ATOM 31 C LIG 1 0.184 -0.097 -0.984 0.00 0.00 +0.128 C BRANCH 31 32 ATOM 32 C LIG 1 1.601 0.275 -0.499 0.00 0.00 +0.009 C ATOM 33 C LIG 1 2.447 0.840 -1.660 0.00 0.00 +0.005 C ATOM 34 C LIG 1 3.329 -0.224 -2.306 0.00 0.00 +0.003 C ATOM 35 C LIG 1 4.325 -0.838 -1.305 0.00 0.00 -0.014 C ATOM 36 C LIG 1 5.695 -0.163 -1.393 0.00 0.00 +0.007 C ATOM 37 C LIG 1 3.807 -0.796 0.143 0.00 0.00 +0.003 C ATOM 38 C LIG 1 2.289 -0.922 0.190 0.00 0.00 +0.005 C ENDBRANCH 31 32 ENDBRANCH 8 31 TORSDOF 5