REMARK Name = BDB054459 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.024 1.867 0.445 0.00 0.00 -0.339 N ATOM 2 C LIG 1 -0.647 0.618 0.497 0.00 0.00 +0.054 A ATOM 3 C LIG 1 0.379 -0.315 0.263 0.00 0.00 +0.013 A ATOM 4 C LIG 1 0.045 -1.674 0.160 0.00 0.00 -0.008 A ATOM 5 C LIG 1 0.950 -2.848 -0.061 0.00 0.00 +0.141 C ATOM 6 N LIG 1 0.037 -3.950 -0.094 0.00 0.00 -0.307 N ATOM 7 H LIG 1 0.296 -4.926 -0.112 0.00 0.00 +0.149 HD ATOM 8 C LIG 1 -1.266 -3.576 0.151 0.00 0.00 +0.245 C ATOM 9 O LIG 1 -2.177 -4.368 0.280 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 -1.288 -2.097 0.260 0.00 0.00 +0.050 A ATOM 11 C LIG 1 -2.318 -1.198 0.483 0.00 0.00 +0.003 A ATOM 12 C LIG 1 -3.722 -1.556 0.552 0.00 0.00 +0.024 A ATOM 13 C LIG 1 -4.705 -0.747 1.153 0.00 0.00 +0.071 A ATOM 14 N LIG 1 -5.940 -1.235 1.034 0.00 0.00 -0.176 NA ATOM 15 N LIG 1 -5.742 -2.369 0.327 0.00 0.00 -0.274 N ATOM 16 C LIG 1 -6.867 -3.209 -0.001 0.00 0.00 +0.172 C ATOM 17 C LIG 1 -4.353 0.528 1.802 0.00 0.00 +0.062 C ATOM 18 C LIG 1 -3.151 1.156 1.063 0.00 0.00 +0.044 C ATOM 19 C LIG 1 -4.437 -2.567 -0.037 0.00 0.00 +0.116 A ATOM 20 C LIG 1 1.625 0.379 0.204 0.00 0.00 +0.010 A ATOM 21 C LIG 1 2.969 -0.037 0.039 0.00 0.00 +0.034 A ATOM 22 C LIG 1 4.022 0.884 0.018 0.00 0.00 +0.034 A ATOM 23 C LIG 1 3.704 2.239 0.158 0.00 0.00 +0.025 A ATOM 24 C LIG 1 2.385 2.687 0.317 0.00 0.00 +0.028 A ATOM 25 C LIG 1 -2.008 0.199 0.692 0.00 0.00 -0.014 A ATOM 26 C LIG 1 1.354 1.734 0.340 0.00 0.00 +0.050 A ENDROOT BRANCH 22 27 ATOM 27 N LIG 1 5.364 0.524 -0.143 0.00 0.00 -0.284 N ATOM 28 H LIG 1 6.046 1.268 -0.124 0.00 0.00 +0.155 HD BRANCH 27 29 ATOM 29 C LIG 1 6.034 -0.684 -0.314 0.00 0.00 +0.219 A ATOM 30 N LIG 1 5.388 -1.860 -0.372 0.00 0.00 -0.223 NA ATOM 31 C LIG 1 6.134 -2.969 -0.540 0.00 0.00 +0.116 A ATOM 32 C LIG 1 7.500 -2.954 -0.653 0.00 0.00 +0.039 A ATOM 33 C LIG 1 8.075 -1.711 -0.582 0.00 0.00 +0.116 A ATOM 34 N LIG 1 7.371 -0.575 -0.415 0.00 0.00 -0.223 NA ENDBRANCH 27 29 ENDBRANCH 22 27 BRANCH 1 35 ATOM 35 C LIG 1 -0.685 3.167 0.407 0.00 0.00 +0.125 C BRANCH 35 37 ATOM 36 C LIG 1 -2.268 4.705 -0.788 0.00 0.00 +0.009 C ATOM 37 C LIG 1 -1.359 3.485 -0.940 0.00 0.00 +0.003 C ATOM 38 C LIG 1 -0.332 3.739 -2.047 0.00 0.00 +0.009 C ENDBRANCH 35 37 ENDBRANCH 1 35 TORSDOF 4