REMARK Name = BDB056111 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.339 0.351 -0.367 0.00 0.00 +0.054 C ENDROOT BRANCH 1 5 ATOM 2 C LIG 1 2.900 -0.512 -0.565 0.00 0.00 +0.035 A ATOM 3 C LIG 1 1.983 -1.270 -1.303 0.00 0.00 +0.023 A ATOM 4 C LIG 1 0.613 -0.992 -1.247 0.00 0.00 +0.005 A ATOM 5 C LIG 1 0.137 0.052 -0.449 0.00 0.00 -0.046 A ATOM 6 C LIG 1 1.052 0.802 0.298 0.00 0.00 +0.005 A ATOM 7 C LIG 1 2.422 0.521 0.240 0.00 0.00 +0.023 A BRANCH 2 10 ATOM 8 O LIG 1 5.307 0.927 0.366 0.00 0.00 -0.252 OA ATOM 9 C LIG 1 5.356 -0.172 -0.170 0.00 0.00 +0.308 C ATOM 10 N LIG 1 4.262 -0.865 -0.670 0.00 0.00 -0.269 N ATOM 11 H LIG 1 4.473 -1.618 -1.306 0.00 0.00 +0.156 HD ATOM 12 N LIG 1 6.515 -0.912 -0.368 0.00 0.00 -0.269 N ATOM 13 H LIG 1 6.381 -1.889 -0.575 0.00 0.00 +0.156 HD BRANCH 12 14 ATOM 14 C LIG 1 7.843 -0.515 -0.107 0.00 0.00 +0.035 A ATOM 15 C LIG 1 8.838 -1.496 -0.217 0.00 0.00 +0.023 A ATOM 16 C LIG 1 10.180 -1.181 0.014 0.00 0.00 +0.002 A ATOM 17 C LIG 1 10.541 0.120 0.353 0.00 0.00 +0.000 A ATOM 18 C LIG 1 9.560 1.103 0.458 0.00 0.00 +0.002 A ATOM 19 C LIG 1 8.217 0.788 0.226 0.00 0.00 +0.023 A ENDBRANCH 12 14 ENDBRANCH 2 10 ENDBRANCH 1 5 BRANCH 1 20 ATOM 20 C LIG 1 -1.993 -0.322 0.847 0.00 0.00 +0.107 C BRANCH 20 21 ATOM 21 N LIG 1 -3.436 -0.109 0.873 0.00 0.00 -0.328 N ATOM 22 H LIG 1 -3.945 -0.512 0.093 0.00 0.00 +0.147 HD BRANCH 21 23 ATOM 23 C LIG 1 -3.903 1.150 1.240 0.00 0.00 +0.133 A ATOM 24 C LIG 1 -5.197 1.598 0.926 0.00 0.00 +0.087 A ATOM 25 C LIG 1 -5.522 2.885 1.336 0.00 0.00 +0.232 A ATOM 26 O LIG 1 -6.792 3.195 0.949 0.00 0.00 -0.444 OA ATOM 27 C LIG 1 -7.289 2.112 0.300 0.00 0.00 +0.207 A ATOM 28 N LIG 1 -4.749 3.744 2.010 0.00 0.00 -0.200 NA ATOM 29 C LIG 1 -3.553 3.212 2.274 0.00 0.00 +0.227 A ATOM 30 C LIG 1 -6.356 1.097 0.257 0.00 0.00 +0.033 A ATOM 31 N LIG 1 -3.097 1.993 1.931 0.00 0.00 -0.220 NA BRANCH 30 32 ATOM 32 C LIG 1 -6.623 -0.189 -0.352 0.00 0.00 -0.014 A ATOM 33 C LIG 1 -6.505 -1.362 0.403 0.00 0.00 +0.008 A ATOM 34 C LIG 1 -6.751 -2.605 -0.183 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -7.119 -2.682 -1.526 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -7.242 -1.518 -2.284 0.00 0.00 +0.001 A ATOM 37 C LIG 1 -6.995 -0.274 -1.700 0.00 0.00 +0.008 A ENDBRANCH 30 32 ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 7