REMARK Name = BDB019450 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.520 1.313 -2.562 0.00 0.00 +0.164 C ATOM 2 N LIG 1 -1.649 1.392 -1.633 0.00 0.00 -0.286 N ATOM 3 C LIG 1 -1.693 0.612 -0.496 0.00 0.00 +0.237 C ATOM 4 O LIG 1 -0.790 -0.196 -0.268 0.00 0.00 -0.274 OA ATOM 5 C LIG 1 -2.617 2.389 -2.066 0.00 0.00 +0.140 C ATOM 6 C LIG 1 -2.059 2.973 -3.366 0.00 0.00 +0.134 C ATOM 7 C LIG 1 -1.066 1.917 -3.851 0.00 0.00 +0.065 C ENDROOT BRANCH 1 10 ATOM 8 N LIG 1 1.366 1.435 -1.015 0.00 0.00 -0.310 N ATOM 9 H LIG 1 0.922 0.597 -0.632 0.00 0.00 +0.149 HD ATOM 10 C LIG 1 0.668 2.116 -1.985 0.00 0.00 +0.234 C ATOM 11 O LIG 1 0.927 3.267 -2.326 0.00 0.00 -0.274 OA BRANCH 8 12 ATOM 12 C LIG 1 2.377 2.075 -0.209 0.00 0.00 +0.139 C BRANCH 12 16 ATOM 13 C LIG 1 5.375 -0.838 0.948 0.00 0.00 +0.019 A ATOM 14 C LIG 1 4.141 -0.773 1.613 0.00 0.00 +0.012 A ATOM 15 C LIG 1 3.176 0.173 1.252 0.00 0.00 +0.006 A ATOM 16 C LIG 1 3.424 1.081 0.215 0.00 0.00 -0.030 A ATOM 17 C LIG 1 4.649 1.014 -0.459 0.00 0.00 +0.006 A ATOM 18 C LIG 1 5.614 0.069 -0.093 0.00 0.00 +0.012 A BRANCH 13 21 ATOM 19 C LIG 1 8.768 -1.024 0.744 0.00 0.00 +0.069 C ATOM 20 C LIG 1 7.748 -1.968 1.240 0.00 0.00 +0.084 A ATOM 21 C LIG 1 6.370 -1.837 1.319 0.00 0.00 +0.158 A ATOM 22 O LIG 1 5.888 -2.988 1.894 0.00 0.00 -0.442 OA ATOM 23 C LIG 1 6.994 -3.748 2.106 0.00 0.00 +0.308 A ATOM 24 N LIG 1 8.128 -3.200 1.735 0.00 0.00 -0.221 NA ENDBRANCH 13 21 ENDBRANCH 12 16 ENDBRANCH 8 12 ENDBRANCH 1 10 BRANCH 6 25 ATOM 25 O LIG 1 -3.079 3.200 -4.334 0.00 0.00 -0.390 OA ATOM 26 H LIG 1 -3.467 2.343 -4.585 0.00 0.00 +0.210 HD ENDBRANCH 6 25 BRANCH 3 27 ATOM 27 C LIG 1 -2.899 0.788 0.462 0.00 0.00 +0.165 C BRANCH 27 28 ATOM 28 N LIG 1 -3.568 -0.515 0.591 0.00 0.00 -0.281 N ATOM 29 C LIG 1 -3.186 -1.544 1.446 0.00 0.00 +0.248 C ATOM 30 O LIG 1 -2.373 -1.534 2.348 0.00 0.00 -0.270 OA ATOM 31 C LIG 1 -3.988 -2.718 1.081 0.00 0.00 +0.042 A ATOM 32 C LIG 1 -4.762 -2.388 -0.030 0.00 0.00 -0.018 A ATOM 33 C LIG 1 -5.621 -3.321 -0.584 0.00 0.00 +0.006 A ATOM 34 C LIG 1 -5.692 -4.588 0.011 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -4.909 -4.905 1.136 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -4.039 -3.961 1.685 0.00 0.00 +0.013 A ATOM 37 C LIG 1 -4.476 -0.986 -0.446 0.00 0.00 +0.144 C ENDBRANCH 27 28 BRANCH 27 38 ATOM 38 C LIG 1 -2.455 1.436 1.798 0.00 0.00 +0.012 C ATOM 39 C LIG 1 -1.815 2.813 1.576 0.00 0.00 +0.009 C ATOM 40 C LIG 1 -3.631 1.597 2.767 0.00 0.00 +0.009 C ENDBRANCH 27 38 ENDBRANCH 3 27 TORSDOF 8