REMARK Name = BDB038934 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.332 -0.477 0.814 0.00 0.00 +0.403 C ATOM 2 N LIG 1 5.181 -0.843 0.140 0.00 0.00 -0.263 N ATOM 3 C LIG 1 3.935 -0.103 0.324 0.00 0.00 +0.148 C ATOM 4 C LIG 1 2.721 -0.741 -0.303 0.00 0.00 +0.001 A ATOM 5 C LIG 1 2.808 -1.943 -1.040 0.00 0.00 -0.039 A ATOM 6 C LIG 1 1.660 -2.522 -1.591 0.00 0.00 +0.006 A ATOM 7 C LIG 1 0.404 -1.922 -1.460 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.322 -0.720 -0.744 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -0.720 0.130 -0.402 0.00 0.00 -0.324 N ATOM 10 C LIG 1 -0.170 1.196 0.305 0.00 0.00 +0.114 A ATOM 11 N LIG 1 1.127 1.021 0.465 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 4.139 -2.638 -1.179 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.451 -0.140 -0.177 0.00 0.00 +0.094 A ATOM 14 C LIG 1 5.298 -1.653 -1.062 0.00 0.00 +0.116 C ATOM 15 O LIG 1 7.445 -0.927 0.568 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -0.862 2.432 0.826 0.00 0.00 +0.056 C ATOM 17 C LIG 1 -1.309 3.383 -0.298 0.00 0.00 +0.026 C ATOM 18 C LIG 1 -2.474 4.296 0.118 0.00 0.00 +0.098 C ATOM 19 C LIG 1 -2.373 4.678 1.598 0.00 0.00 +0.015 C ATOM 20 C LIG 1 -2.430 3.458 2.521 0.00 0.00 +0.001 C ATOM 21 C LIG 1 -1.961 2.162 1.853 0.00 0.00 +0.011 C BRANCH 18 22 ATOM 22 C LIG 1 -2.511 5.527 -0.760 0.00 0.00 +0.308 C ATOM 23 O LIG 1 -2.370 6.687 -0.414 0.00 0.00 -0.251 OA BRANCH 22 24 ATOM 24 O LIG 1 -2.756 5.225 -2.051 0.00 0.00 -0.480 OA ATOM 25 H LIG 1 -2.753 6.096 -2.501 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 18 22 ENDBRANCH 10 16 BRANCH 1 27 ATOM 26 C LIG 1 7.257 0.849 2.511 0.00 0.00 +0.282 C ATOM 27 O LIG 1 6.095 0.446 1.787 0.00 0.00 -0.454 OA ENDBRANCH 1 27 BRANCH 9 28 ATOM 28 C LIG 1 -2.128 -0.027 -0.771 0.00 0.00 +0.090 C ATOM 29 C LIG 1 -2.358 -0.277 -2.264 0.00 0.00 +0.031 C BRANCH 28 30 ATOM 30 C LIG 1 -2.949 -0.943 0.173 0.00 0.00 +0.060 C BRANCH 30 31 ATOM 31 C LIG 1 -2.692 -2.434 0.146 0.00 0.00 -0.043 A ATOM 32 C LIG 1 -3.480 -3.341 -0.595 0.00 0.00 -0.047 A ATOM 33 C LIG 1 -4.681 -2.908 -1.392 0.00 0.00 +0.044 C ATOM 34 C LIG 1 -3.161 -4.710 -0.565 0.00 0.00 +0.003 A ATOM 35 C LIG 1 -2.096 -5.186 0.197 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -1.338 -4.301 0.952 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -1.639 -2.940 0.933 0.00 0.00 +0.004 A ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 9 28 TORSDOF 7