REMARK Name = BDB006916 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.419 -0.303 1.246 0.00 0.00 +0.234 C ATOM 2 N LIG 1 0.159 0.954 1.167 0.00 0.00 -0.269 N ATOM 3 C LIG 1 1.221 1.469 0.397 0.00 0.00 +0.043 A ATOM 4 C LIG 1 1.367 2.830 0.655 0.00 0.00 -0.001 A ATOM 5 C LIG 1 2.353 3.540 0.004 0.00 0.00 +0.117 A ATOM 6 N LIG 1 3.198 2.965 -0.874 0.00 0.00 -0.259 NA ATOM 7 C LIG 1 3.061 1.631 -1.106 0.00 0.00 +0.047 A ATOM 8 C LIG 1 0.359 3.337 1.649 0.00 0.00 +0.009 C ATOM 9 C LIG 1 -0.642 4.286 0.979 0.00 0.00 +0.017 C ATOM 10 C LIG 1 1.020 4.020 2.850 0.00 0.00 +0.017 C ATOM 11 C LIG 1 2.081 0.849 -0.488 0.00 0.00 +0.047 A ATOM 12 C LIG 1 -0.323 2.015 2.067 0.00 0.00 +0.124 C ATOM 13 O LIG 1 -1.280 -0.523 2.110 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 14 ATOM 14 C LIG 1 -0.001 -1.381 0.236 0.00 0.00 +0.181 C BRANCH 14 21 ATOM 15 C LIG 1 -2.978 -3.717 2.658 0.00 0.00 +0.025 C ATOM 16 C LIG 1 -2.071 -4.336 1.586 0.00 0.00 +0.065 C ATOM 17 N LIG 1 -2.842 -4.684 0.388 0.00 0.00 -0.310 NA ATOM 18 H LIG 1 -3.696 -5.182 0.623 0.00 0.00 +0.122 HD ATOM 19 C LIG 1 -3.135 -3.530 -0.480 0.00 0.00 +0.109 C ATOM 20 C LIG 1 -2.305 -2.237 -0.247 0.00 0.00 +0.158 C ATOM 21 N LIG 1 -0.909 -2.541 0.137 0.00 0.00 -0.280 NA ATOM 22 C LIG 1 -0.818 -3.456 1.287 0.00 0.00 +0.104 C BRANCH 20 23 ATOM 23 C LIG 1 -2.359 -1.401 -1.552 0.00 0.00 +0.234 C ATOM 24 N LIG 1 -3.013 -0.175 -1.519 0.00 0.00 -0.296 N ATOM 25 C LIG 1 -3.760 0.363 -0.379 0.00 0.00 +0.136 C ATOM 26 C LIG 1 -4.611 1.573 -0.776 0.00 0.00 +0.179 C ATOM 27 O LIG 1 -3.838 2.627 -1.362 0.00 0.00 -0.377 OA ATOM 28 C LIG 1 -2.792 2.170 -2.234 0.00 0.00 +0.179 C ATOM 29 C LIG 1 -2.930 0.712 -2.682 0.00 0.00 +0.136 C ATOM 30 O LIG 1 -1.810 -1.792 -2.588 0.00 0.00 -0.274 OA ENDBRANCH 20 23 ENDBRANCH 14 21 ENDBRANCH 1 14 BRANCH 7 31 ATOM 31 C LIG 1 4.030 1.004 -2.087 0.00 0.00 +0.090 C BRANCH 31 32 ATOM 32 C LIG 1 4.931 -0.045 -1.473 0.00 0.00 -0.042 A ATOM 33 C LIG 1 4.787 -1.398 -1.809 0.00 0.00 +0.004 A ATOM 34 C LIG 1 5.614 -2.362 -1.229 0.00 0.00 +0.000 A ATOM 35 C LIG 1 6.591 -1.983 -0.310 0.00 0.00 +0.000 A ATOM 36 C LIG 1 6.744 -0.640 0.030 0.00 0.00 +0.000 A ATOM 37 C LIG 1 5.918 0.325 -0.548 0.00 0.00 +0.004 A ENDBRANCH 31 32 ENDBRANCH 7 31 TORSDOF 5