REMARK Name = BDB053562 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.589 0.362 -0.656 0.00 0.00 -0.005 A ATOM 2 C LIG 1 -2.304 -0.836 -0.789 0.00 0.00 +0.125 A ATOM 3 C LIG 1 -3.687 -0.852 -0.538 0.00 0.00 +0.069 A ATOM 4 C LIG 1 -4.393 0.302 -0.149 0.00 0.00 +0.048 A ATOM 5 C LIG 1 -3.651 1.484 -0.018 0.00 0.00 +0.024 A ATOM 6 C LIG 1 -2.273 1.516 -0.265 0.00 0.00 +0.009 A ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 -5.805 0.272 0.104 0.00 0.00 -0.202 N ATOM 8 C LIG 1 -6.610 -0.848 -0.006 0.00 0.00 +0.258 C ATOM 9 O LIG 1 -6.373 -2.002 -0.317 0.00 0.00 -0.269 OA ATOM 10 C LIG 1 -7.969 -0.442 0.337 0.00 0.00 +0.050 A ATOM 11 C LIG 1 -7.941 0.899 0.641 0.00 0.00 +0.050 A ATOM 12 C LIG 1 -9.081 1.588 1.010 0.00 0.00 +0.014 A ATOM 13 C LIG 1 -10.279 0.868 1.063 0.00 0.00 +0.001 A ATOM 14 C LIG 1 -10.307 -0.505 0.751 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -9.139 -1.178 0.381 0.00 0.00 +0.014 A ATOM 16 C LIG 1 -6.565 1.359 0.495 0.00 0.00 +0.258 C ATOM 17 O LIG 1 -6.280 2.524 0.714 0.00 0.00 -0.269 OA ENDBRANCH 4 7 BRANCH 2 18 ATOM 18 O LIG 1 -1.565 -1.929 -1.163 0.00 0.00 -0.495 OA ATOM 19 C LIG 1 -2.247 -3.169 -1.311 0.00 0.00 +0.277 C ENDBRANCH 2 18 BRANCH 1 20 ATOM 20 C LIG 1 -0.098 0.430 -0.899 0.00 0.00 +0.043 C BRANCH 20 21 ATOM 21 C LIG 1 0.699 -0.054 0.316 0.00 0.00 +0.040 C BRANCH 21 25 ATOM 22 C LIG 1 4.957 0.202 -0.412 0.00 0.00 -0.047 A ATOM 23 C LIG 1 4.285 1.238 0.248 0.00 0.00 +0.004 A ATOM 24 C LIG 1 2.912 1.155 0.488 0.00 0.00 +0.004 A ATOM 25 C LIG 1 2.187 0.031 0.075 0.00 0.00 -0.047 A ATOM 26 C LIG 1 2.856 -1.003 -0.590 0.00 0.00 +0.004 A ATOM 27 C LIG 1 4.229 -0.919 -0.829 0.00 0.00 +0.004 A BRANCH 22 28 ATOM 28 C LIG 1 6.447 0.286 -0.660 0.00 0.00 +0.049 C BRANCH 28 29 ATOM 29 C LIG 1 7.266 -0.579 0.312 0.00 0.00 +0.102 C BRANCH 29 31 ATOM 30 C LIG 1 9.516 0.460 -0.427 0.00 0.00 +0.004 C ATOM 31 C LIG 1 8.713 -0.807 -0.162 0.00 0.00 +0.011 C ENDBRANCH 29 31 BRANCH 29 32 ATOM 32 C LIG 1 7.269 -0.057 1.733 0.00 0.00 +0.308 C ATOM 33 O LIG 1 7.349 -0.747 2.737 0.00 0.00 -0.251 OA BRANCH 32 34 ATOM 34 O LIG 1 7.265 1.283 1.842 0.00 0.00 -0.480 OA ATOM 35 H LIG 1 7.293 1.433 2.811 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 29 32 ENDBRANCH 28 29 ENDBRANCH 22 28 ENDBRANCH 21 25 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 10