REMARK Name = BDB032806 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 5.156 -0.359 0.845 0.00 0.00 -0.282 N ATOM 2 C LIG 1 4.555 0.814 0.412 0.00 0.00 +0.248 C ATOM 3 O LIG 1 4.974 1.629 -0.386 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 3.260 0.905 1.095 0.00 0.00 +0.042 A ATOM 5 C LIG 1 3.083 -0.255 1.845 0.00 0.00 -0.018 A ATOM 6 C LIG 1 1.930 -0.437 2.584 0.00 0.00 +0.006 A ATOM 7 C LIG 1 0.961 0.575 2.557 0.00 0.00 +0.007 A ATOM 8 C LIG 1 1.148 1.755 1.799 0.00 0.00 -0.010 A ATOM 9 C LIG 1 2.319 1.916 1.044 0.00 0.00 +0.020 A ATOM 10 C LIG 1 4.255 -1.159 1.665 0.00 0.00 +0.144 C ENDROOT BRANCH 1 17 ATOM 11 O LIG 1 9.277 -1.568 -2.606 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 8.407 -1.308 -1.779 0.00 0.00 +0.219 C ATOM 13 N LIG 1 7.098 -1.657 -1.998 0.00 0.00 -0.255 N ATOM 14 H LIG 1 6.901 -2.104 -2.882 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 6.042 -1.571 -1.119 0.00 0.00 +0.240 C ATOM 16 O LIG 1 4.958 -2.078 -1.403 0.00 0.00 -0.273 OA ATOM 17 C LIG 1 6.353 -0.939 0.247 0.00 0.00 +0.163 C ATOM 18 C LIG 1 7.520 0.041 0.133 0.00 0.00 +0.041 C ATOM 19 C LIG 1 8.729 -0.680 -0.443 0.00 0.00 +0.098 C ENDBRANCH 1 17 BRANCH 8 20 ATOM 20 C LIG 1 0.070 2.809 1.763 0.00 0.00 +0.269 C BRANCH 20 21 ATOM 21 O LIG 1 -0.761 2.600 0.616 0.00 0.00 -0.446 OA BRANCH 21 22 ATOM 22 C LIG 1 -1.906 1.914 0.841 0.00 0.00 +0.401 C ATOM 23 N LIG 1 -2.569 1.764 -0.341 0.00 0.00 -0.276 N ATOM 24 H LIG 1 -2.079 2.157 -1.133 0.00 0.00 +0.153 HD ATOM 25 O LIG 1 -2.287 1.495 1.923 0.00 0.00 -0.226 OA BRANCH 23 26 ATOM 26 C LIG 1 -3.794 1.067 -0.470 0.00 0.00 +0.040 C ATOM 27 C LIG 1 -4.602 0.873 -1.773 0.00 0.00 +0.037 C ATOM 28 C LIG 1 -5.456 0.125 -0.688 0.00 0.00 +0.002 C ATOM 29 C LIG 1 -5.141 1.374 0.215 0.00 0.00 +0.037 C ATOM 30 C LIG 1 -4.074 -0.423 -0.178 0.00 0.00 +0.037 C BRANCH 28 31 ATOM 31 C LIG 1 -6.759 -0.630 -0.869 0.00 0.00 -0.041 A ATOM 32 C LIG 1 -7.875 -0.415 -0.039 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -9.076 -1.113 -0.207 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -9.196 -2.056 -1.220 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -8.116 -2.299 -2.060 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -6.920 -1.596 -1.882 0.00 0.00 +0.004 A ENDBRANCH 28 31 ENDBRANCH 23 26 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 8 20 TORSDOF 6