REMARK Name = BDB057969 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.240 -1.069 -0.905 0.00 0.00 +0.039 A ATOM 2 C LIG 1 1.436 -0.339 -0.903 0.00 0.00 +0.036 A ATOM 3 C LIG 1 2.579 -0.819 -0.242 0.00 0.00 +0.033 A ATOM 4 C LIG 1 2.473 -2.042 0.430 0.00 0.00 +0.023 A ATOM 5 C LIG 1 1.289 -2.790 0.405 0.00 0.00 +0.003 A ATOM 6 C LIG 1 0.173 -2.312 -0.274 0.00 0.00 +0.013 A ENDROOT BRANCH 1 11 ATOM 7 N LIG 1 -4.811 -0.239 0.215 0.00 0.00 -0.311 N ATOM 8 C LIG 1 -3.595 0.237 0.906 0.00 0.00 +0.125 C ATOM 9 C LIG 1 -2.366 -0.562 0.435 0.00 0.00 +0.127 C ATOM 10 N LIG 1 -2.162 -0.472 -1.019 0.00 0.00 -0.295 N ATOM 11 C LIG 1 -0.920 -0.517 -1.643 0.00 0.00 +0.247 C ATOM 12 O LIG 1 -0.728 -0.107 -2.786 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 -3.307 0.007 -1.796 0.00 0.00 +0.127 C ATOM 14 C LIG 1 -4.659 -0.480 -1.242 0.00 0.00 +0.125 C BRANCH 7 16 ATOM 15 C LIG 1 -7.261 -0.137 0.371 0.00 0.00 +0.092 A ATOM 16 C LIG 1 -5.990 0.415 0.599 0.00 0.00 +0.139 A ATOM 17 N LIG 1 -5.869 1.608 1.237 0.00 0.00 -0.239 NA ATOM 18 C LIG 1 -6.985 2.269 1.618 0.00 0.00 +0.113 A ATOM 19 C LIG 1 -8.264 1.798 1.407 0.00 0.00 +0.021 A ATOM 20 C LIG 1 -8.403 0.570 0.776 0.00 0.00 +0.024 A BRANCH 15 22 ATOM 21 N LIG 1 -7.622 -2.456 -0.730 0.00 0.00 -0.191 NA ATOM 22 C LIG 1 -7.439 -1.425 -0.227 0.00 0.00 +0.103 C ENDBRANCH 15 22 ENDBRANCH 7 16 ENDBRANCH 1 11 BRANCH 3 23 ATOM 23 N LIG 1 3.744 -0.021 -0.251 0.00 0.00 -0.298 N ATOM 24 H LIG 1 3.630 0.815 -0.807 0.00 0.00 +0.154 HD BRANCH 23 25 ATOM 25 C LIG 1 5.050 -0.378 0.054 0.00 0.00 +0.151 A ATOM 26 C LIG 1 6.071 0.720 0.129 0.00 0.00 +0.029 A ATOM 27 C LIG 1 7.405 0.368 0.323 0.00 0.00 +0.051 A ATOM 28 C LIG 1 8.405 1.347 0.384 0.00 0.00 +0.014 A ATOM 29 C LIG 1 8.067 2.693 0.266 0.00 0.00 +0.001 A ATOM 30 C LIG 1 6.733 3.059 0.099 0.00 0.00 +0.001 A ATOM 31 C LIG 1 7.754 -1.048 0.495 0.00 0.00 +0.273 A ATOM 32 O LIG 1 8.915 -1.407 0.655 0.00 0.00 -0.266 OA ATOM 33 N LIG 1 6.705 -1.928 0.481 0.00 0.00 -0.241 N ATOM 34 H LIG 1 6.923 -2.913 0.589 0.00 0.00 +0.192 HD ATOM 35 C LIG 1 5.735 2.080 0.036 0.00 0.00 +0.012 A ATOM 36 N LIG 1 5.405 -1.620 0.245 0.00 0.00 -0.155 NA ENDBRANCH 23 25 ENDBRANCH 3 23 TORSDOF 5