REMARK Name = BDB033033 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.713 -0.988 -0.929 0.00 0.00 +0.099 C ATOM 2 C LIG 1 0.398 -0.939 0.124 0.00 0.00 +0.130 C ATOM 3 N LIG 1 1.568 -1.388 -0.595 0.00 0.00 -0.295 N ATOM 4 C LIG 1 1.405 -1.322 -1.966 0.00 0.00 +0.218 C ATOM 5 O LIG 1 2.239 -1.602 -2.811 0.00 0.00 -0.276 OA ATOM 6 C LIG 1 0.031 -0.775 -2.248 0.00 0.00 +0.119 C ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -2.547 -0.034 0.404 0.00 0.00 +0.245 C ATOM 8 N LIG 1 -1.780 -0.019 -0.739 0.00 0.00 -0.307 N ATOM 9 H LIG 1 -2.213 0.347 -1.587 0.00 0.00 +0.149 HD ATOM 10 O LIG 1 -2.254 -0.702 1.391 0.00 0.00 -0.270 OA BRANCH 7 12 ATOM 11 C LIG 1 -4.716 0.975 -0.535 0.00 0.00 +0.071 A ATOM 12 C LIG 1 -3.737 0.856 0.461 0.00 0.00 +0.051 A ATOM 13 C LIG 1 -3.902 1.566 1.665 0.00 0.00 +0.014 A ATOM 14 C LIG 1 -5.005 2.399 1.862 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -5.967 2.524 0.865 0.00 0.00 +0.001 A ATOM 16 C LIG 1 -5.827 1.813 -0.328 0.00 0.00 +0.016 A BRANCH 11 18 ATOM 17 O LIG 1 -3.662 0.167 -2.534 0.00 0.00 -0.245 OA ATOM 18 C LIG 1 -4.641 0.252 -1.817 0.00 0.00 +0.338 C BRANCH 18 19 ATOM 19 O LIG 1 -5.815 -0.318 -2.133 0.00 0.00 -0.477 OA ATOM 20 H LIG 1 -5.660 -0.780 -2.983 0.00 0.00 +0.295 HD ENDBRANCH 18 19 ENDBRANCH 11 18 ENDBRANCH 7 12 ENDBRANCH 1 8 BRANCH 3 21 ATOM 21 C LIG 1 2.802 -1.772 0.066 0.00 0.00 +0.145 C BRANCH 21 22 ATOM 22 C LIG 1 3.843 -0.678 0.215 0.00 0.00 +0.000 A ATOM 23 C LIG 1 5.164 -0.973 0.623 0.00 0.00 +0.131 A ATOM 24 C LIG 1 6.146 0.024 0.750 0.00 0.00 +0.033 A ATOM 25 C LIG 1 5.819 1.349 0.479 0.00 0.00 +0.002 A ATOM 26 C LIG 1 4.524 1.671 0.083 0.00 0.00 +0.000 A ATOM 27 C LIG 1 3.551 0.672 -0.047 0.00 0.00 +0.007 A BRANCH 23 28 ATOM 28 N LIG 1 5.573 -2.340 0.936 0.00 0.00 +0.057 N ATOM 29 O LIG 1 4.833 -3.004 1.675 0.00 0.00 -0.126 OA ATOM 30 O LIG 1 6.647 -2.734 0.463 0.00 0.00 -0.126 OA ENDBRANCH 23 28 ENDBRANCH 21 22 ENDBRANCH 3 21 TORSDOF 7