REMARK Name = BDB038999 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.259 0.307 0.284 0.00 0.00 +0.403 C ATOM 2 N LIG 1 5.197 -0.543 0.537 0.00 0.00 -0.263 N ATOM 3 C LIG 1 3.857 0.032 0.478 0.00 0.00 +0.148 C ATOM 4 C LIG 1 2.735 -0.974 0.515 0.00 0.00 +0.001 A ATOM 5 C LIG 1 2.977 -2.360 0.655 0.00 0.00 -0.039 A ATOM 6 C LIG 1 1.916 -3.276 0.673 0.00 0.00 +0.006 A ATOM 7 C LIG 1 0.586 -2.856 0.583 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.355 -1.482 0.462 0.00 0.00 +0.071 A ATOM 9 N LIG 1 -0.792 -0.716 0.355 0.00 0.00 -0.309 N ATOM 10 C LIG 1 -0.403 0.603 0.254 0.00 0.00 +0.200 A ATOM 11 N LIG 1 0.901 0.722 0.308 0.00 0.00 -0.214 NA ATOM 12 C LIG 1 4.398 -2.863 0.726 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.391 -0.553 0.428 0.00 0.00 +0.096 A ATOM 14 C LIG 1 5.347 -1.796 1.265 0.00 0.00 +0.116 C ATOM 15 O LIG 1 6.135 1.457 -0.124 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 N LIG 1 -1.304 1.619 0.128 0.00 0.00 -0.300 N ATOM 17 C LIG 1 -1.196 2.304 -1.189 0.00 0.00 +0.122 C ATOM 18 C LIG 1 -2.053 3.571 -1.198 0.00 0.00 +0.115 C ATOM 19 C LIG 1 -1.536 4.578 -0.162 0.00 0.00 +0.018 C ATOM 20 C LIG 1 -0.741 3.906 0.959 0.00 0.00 +0.020 C ATOM 21 C LIG 1 -1.314 2.533 1.295 0.00 0.00 +0.108 C BRANCH 18 22 ATOM 22 C LIG 1 -2.068 4.178 -2.584 0.00 0.00 +0.309 C ATOM 23 O LIG 1 -1.379 3.810 -3.521 0.00 0.00 -0.251 OA BRANCH 22 24 ATOM 24 O LIG 1 -2.960 5.190 -2.706 0.00 0.00 -0.480 OA ATOM 25 H LIG 1 -3.465 5.384 -1.894 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 18 22 ENDBRANCH 10 16 BRANCH 1 27 ATOM 26 C LIG 1 8.585 0.575 0.275 0.00 0.00 +0.282 C ATOM 27 O LIG 1 7.465 -0.271 0.537 0.00 0.00 -0.454 OA ENDBRANCH 1 27 BRANCH 9 28 ATOM 28 C LIG 1 -2.159 -1.240 0.367 0.00 0.00 +0.092 C ATOM 29 C LIG 1 -2.903 -0.835 1.644 0.00 0.00 +0.031 C BRANCH 28 30 ATOM 30 C LIG 1 -2.933 -0.887 -0.919 0.00 0.00 +0.060 C BRANCH 30 31 ATOM 31 C LIG 1 -4.108 -1.804 -1.171 0.00 0.00 -0.045 A ATOM 32 C LIG 1 -3.909 -3.067 -1.746 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -4.989 -3.922 -1.966 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -6.277 -3.525 -1.613 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -6.486 -2.272 -1.041 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -5.407 -1.414 -0.820 0.00 0.00 +0.004 A ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 9 28 TORSDOF 7