REMARK Name = BDB057935 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.773 0.386 1.487 0.00 0.00 -0.039 A ATOM 2 C LIG 1 -1.030 0.535 0.110 0.00 0.00 -0.011 A ATOM 3 C LIG 1 0.025 0.485 -0.821 0.00 0.00 +0.014 A ATOM 4 C LIG 1 1.364 0.295 -0.425 0.00 0.00 -0.025 A ATOM 5 C LIG 1 2.485 0.255 -1.488 0.00 0.00 +0.031 C ATOM 6 C LIG 1 3.825 0.042 -0.828 0.00 0.00 +0.038 A ATOM 7 C LIG 1 4.067 -0.097 0.523 0.00 0.00 +0.051 A ATOM 8 C LIG 1 3.000 -0.051 1.501 0.00 0.00 +0.196 C ATOM 9 O LIG 1 3.195 -0.174 2.705 0.00 0.00 -0.287 OA ATOM 10 C LIG 1 5.470 -0.277 0.695 0.00 0.00 +0.011 A ATOM 11 C LIG 1 6.046 -0.240 -0.576 0.00 0.00 +0.049 A ATOM 12 C LIG 1 7.425 -0.386 -0.786 0.00 0.00 +0.045 A ATOM 13 C LIG 1 8.241 -0.575 0.339 0.00 0.00 +0.054 A ATOM 14 C LIG 1 7.689 -0.615 1.622 0.00 0.00 +0.019 A ATOM 15 C LIG 1 6.309 -0.468 1.811 0.00 0.00 +0.012 A ATOM 16 N LIG 1 5.028 -0.045 -1.482 0.00 0.00 -0.357 N ATOM 17 H LIG 1 5.160 0.024 -2.483 0.00 0.00 +0.166 HD ATOM 18 C LIG 1 2.516 1.593 -2.259 0.00 0.00 +0.022 C ATOM 19 C LIG 1 2.223 -0.908 -2.471 0.00 0.00 +0.022 C ATOM 20 C LIG 1 1.619 0.155 0.957 0.00 0.00 +0.027 A ATOM 21 C LIG 1 0.561 0.205 1.887 0.00 0.00 +0.016 A ENDROOT BRANCH 2 22 ATOM 22 C LIG 1 -2.368 0.753 -0.400 0.00 0.00 +0.020 A ATOM 23 C LIG 1 -3.075 -0.165 -1.145 0.00 0.00 +0.117 A ATOM 24 N LIG 1 -4.288 0.414 -1.410 0.00 0.00 -0.262 N ATOM 25 N LIG 1 -4.390 1.666 -0.924 0.00 0.00 -0.179 NA ATOM 26 C LIG 1 -3.225 1.867 -0.304 0.00 0.00 +0.142 A BRANCH 24 27 ATOM 27 C LIG 1 -5.368 -0.183 -2.175 0.00 0.00 +0.239 C BRANCH 27 28 ATOM 28 C LIG 1 -6.746 0.022 -1.578 0.00 0.00 +0.237 C ATOM 29 N LIG 1 -7.074 -0.620 -0.382 0.00 0.00 -0.306 N ATOM 30 C LIG 1 -6.105 -1.275 0.483 0.00 0.00 +0.131 C ATOM 31 C LIG 1 -8.344 -0.277 0.240 0.00 0.00 +0.131 C ATOM 32 O LIG 1 -7.583 0.680 -2.206 0.00 0.00 -0.274 OA ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 2 22 BRANCH 1 34 ATOM 33 C LIG 1 -1.590 0.014 3.927 0.00 0.00 +0.009 C ATOM 34 C LIG 1 -1.907 0.437 2.497 0.00 0.00 +0.032 C ENDBRANCH 1 34 BRANCH 13 35 ATOM 35 C LIG 1 9.656 -0.729 0.167 0.00 0.00 +0.099 C ATOM 36 N LIG 1 10.801 -0.853 0.018 0.00 0.00 -0.191 NA ENDBRANCH 13 35 TORSDOF 5