REMARK Name = BDB057934 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.311 1.706 -0.692 0.00 0.00 -0.039 A ATOM 2 C LIG 1 -0.698 0.535 -0.021 0.00 0.00 -0.011 A ATOM 3 C LIG 1 0.276 -0.380 0.417 0.00 0.00 +0.014 A ATOM 4 C LIG 1 1.654 -0.167 0.204 0.00 0.00 -0.025 A ATOM 5 C LIG 1 2.681 -1.206 0.706 0.00 0.00 +0.031 C ATOM 6 C LIG 1 4.084 -0.762 0.367 0.00 0.00 +0.038 A ATOM 7 C LIG 1 4.448 0.393 -0.293 0.00 0.00 +0.051 A ATOM 8 C LIG 1 3.467 1.353 -0.755 0.00 0.00 +0.196 C ATOM 9 O LIG 1 3.770 2.384 -1.344 0.00 0.00 -0.287 OA ATOM 10 C LIG 1 5.869 0.403 -0.396 0.00 0.00 +0.011 A ATOM 11 C LIG 1 6.332 -0.764 0.215 0.00 0.00 +0.049 A ATOM 12 C LIG 1 7.694 -1.085 0.299 0.00 0.00 +0.045 A ATOM 13 C LIG 1 8.613 -0.183 -0.260 0.00 0.00 +0.054 A ATOM 14 C LIG 1 8.176 0.992 -0.876 0.00 0.00 +0.019 A ATOM 15 C LIG 1 6.811 1.294 -0.950 0.00 0.00 +0.012 A ATOM 16 N LIG 1 5.230 -1.453 0.670 0.00 0.00 -0.357 N ATOM 17 H LIG 1 5.272 -2.340 1.155 0.00 0.00 +0.166 HD ATOM 18 C LIG 1 2.562 -1.352 2.239 0.00 0.00 +0.022 C ATOM 19 C LIG 1 2.412 -2.568 0.029 0.00 0.00 +0.022 C ATOM 20 C LIG 1 2.035 1.015 -0.471 0.00 0.00 +0.027 A ATOM 21 C LIG 1 1.060 1.931 -0.905 0.00 0.00 +0.016 A ENDROOT BRANCH 2 22 ATOM 22 C LIG 1 -2.083 0.226 0.253 0.00 0.00 +0.020 A ATOM 23 C LIG 1 -2.939 -0.373 -0.644 0.00 0.00 +0.117 A ATOM 24 N LIG 1 -4.136 -0.503 0.006 0.00 0.00 -0.268 N ATOM 25 N LIG 1 -4.101 -0.052 1.278 0.00 0.00 -0.179 NA ATOM 26 C LIG 1 -2.849 0.391 1.424 0.00 0.00 +0.142 A BRANCH 24 27 ATOM 27 C LIG 1 -5.366 -1.058 -0.550 0.00 0.00 +0.110 C ATOM 28 C LIG 1 -6.355 0.058 -0.913 0.00 0.00 +0.042 C ATOM 29 C LIG 1 -7.773 -0.493 -0.992 0.00 0.00 +0.083 C ATOM 30 N LIG 1 -8.235 -1.052 0.277 0.00 0.00 -0.316 NA ATOM 31 H LIG 1 -8.939 -1.769 0.105 0.00 0.00 +0.122 HD ATOM 32 C LIG 1 -7.172 -1.570 1.139 0.00 0.00 +0.083 C ATOM 33 C LIG 1 -5.995 -2.134 0.352 0.00 0.00 +0.042 C ENDBRANCH 24 27 ENDBRANCH 2 22 BRANCH 1 35 ATOM 34 C LIG 1 -1.561 3.804 -0.089 0.00 0.00 +0.009 C ATOM 35 C LIG 1 -1.293 2.756 -1.160 0.00 0.00 +0.032 C ENDBRANCH 1 35 BRANCH 13 36 ATOM 36 C LIG 1 10.016 -0.475 -0.195 0.00 0.00 +0.099 C ATOM 37 N LIG 1 11.149 -0.720 -0.138 0.00 0.00 -0.191 NA ENDBRANCH 13 36 TORSDOF 4