REMARK Name = BDB053563 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.597 0.179 -0.767 0.00 0.00 -0.005 A ATOM 2 C LIG 1 -2.279 -1.009 -0.471 0.00 0.00 +0.125 A ATOM 3 C LIG 1 -3.661 -0.976 -0.225 0.00 0.00 +0.069 A ATOM 4 C LIG 1 -4.402 0.221 -0.259 0.00 0.00 +0.048 A ATOM 5 C LIG 1 -3.692 1.395 -0.552 0.00 0.00 +0.024 A ATOM 6 C LIG 1 -2.315 1.377 -0.799 0.00 0.00 +0.009 A ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 -5.813 0.242 -0.007 0.00 0.00 -0.202 N ATOM 8 C LIG 1 -6.588 -0.868 0.280 0.00 0.00 +0.258 C ATOM 9 O LIG 1 -6.317 -2.052 0.388 0.00 0.00 -0.269 OA ATOM 10 C LIG 1 -7.959 -0.406 0.466 0.00 0.00 +0.050 A ATOM 11 C LIG 1 -7.969 0.957 0.287 0.00 0.00 +0.050 A ATOM 12 C LIG 1 -9.130 1.700 0.398 0.00 0.00 +0.014 A ATOM 13 C LIG 1 -10.308 1.010 0.701 0.00 0.00 +0.001 A ATOM 14 C LIG 1 -10.297 -0.387 0.884 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -9.108 -1.114 0.766 0.00 0.00 +0.014 A ATOM 16 C LIG 1 -6.605 1.376 -0.013 0.00 0.00 +0.258 C ATOM 17 O LIG 1 -6.353 2.551 -0.212 0.00 0.00 -0.269 OA ENDBRANCH 4 7 BRANCH 2 18 ATOM 18 O LIG 1 -1.508 -2.143 -0.444 0.00 0.00 -0.495 OA ATOM 19 C LIG 1 -2.157 -3.378 -0.168 0.00 0.00 +0.277 C ENDBRANCH 2 18 BRANCH 1 20 ATOM 20 C LIG 1 -0.106 0.200 -1.025 0.00 0.00 +0.043 C BRANCH 20 21 ATOM 21 C LIG 1 0.696 0.191 0.280 0.00 0.00 +0.040 C BRANCH 21 25 ATOM 22 C LIG 1 4.948 0.305 -0.511 0.00 0.00 -0.047 A ATOM 23 C LIG 1 4.244 1.486 -0.245 0.00 0.00 +0.004 A ATOM 24 C LIG 1 2.872 1.450 0.014 0.00 0.00 +0.004 A ATOM 25 C LIG 1 2.182 0.232 0.019 0.00 0.00 -0.047 A ATOM 26 C LIG 1 2.886 -0.948 -0.249 0.00 0.00 +0.004 A ATOM 27 C LIG 1 4.257 -0.912 -0.509 0.00 0.00 +0.004 A BRANCH 22 28 ATOM 28 C LIG 1 6.437 0.344 -0.773 0.00 0.00 +0.049 C BRANCH 28 29 ATOM 29 C LIG 1 7.264 0.391 0.522 0.00 0.00 +0.102 C BRANCH 29 31 ATOM 30 C LIG 1 9.496 0.053 -0.733 0.00 0.00 +0.004 C ATOM 31 C LIG 1 8.710 0.863 0.291 0.00 0.00 +0.011 C ENDBRANCH 29 31 BRANCH 29 32 ATOM 32 C LIG 1 7.269 -0.955 1.214 0.00 0.00 +0.308 C ATOM 33 O LIG 1 7.226 -2.055 0.690 0.00 0.00 -0.251 OA BRANCH 32 34 ATOM 34 O LIG 1 7.374 -0.843 2.554 0.00 0.00 -0.480 OA ATOM 35 H LIG 1 7.358 -1.770 2.870 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