REMARK Name = BDB049934 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.850 1.868 0.983 0.00 0.00 -0.285 N ATOM 2 H LIG 1 -2.438 2.660 1.221 0.00 0.00 +0.155 HD ATOM 3 C LIG 1 -0.608 2.327 0.654 0.00 0.00 +0.217 C ATOM 4 O LIG 1 -0.435 3.548 0.707 0.00 0.00 -0.275 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 -4.535 -0.598 1.543 0.00 0.00 +0.038 A ATOM 6 C LIG 1 -3.816 0.601 1.431 0.00 0.00 +0.036 A ATOM 7 C LIG 1 -2.460 0.603 1.063 0.00 0.00 +0.034 A ATOM 8 C LIG 1 -1.839 -0.623 0.821 0.00 0.00 +0.023 A ATOM 9 C LIG 1 -2.548 -1.824 0.950 0.00 0.00 +0.003 A ATOM 10 C LIG 1 -3.891 -1.814 1.314 0.00 0.00 +0.013 A BRANCH 5 13 ATOM 11 N LIG 1 -6.731 0.455 1.520 0.00 0.00 -0.311 N ATOM 12 H LIG 1 -6.340 1.119 0.867 0.00 0.00 +0.149 HD ATOM 13 C LIG 1 -5.971 -0.621 1.931 0.00 0.00 +0.244 C ATOM 14 O LIG 1 -6.420 -1.577 2.553 0.00 0.00 -0.270 OA BRANCH 11 15 ATOM 15 C LIG 1 -8.156 0.528 1.775 0.00 0.00 +0.104 C BRANCH 15 16 ATOM 16 C LIG 1 -8.991 0.118 0.562 0.00 0.00 +0.018 C BRANCH 16 18 ATOM 17 C LIG 1 -9.802 -1.752 -0.920 0.00 0.00 +0.004 C ATOM 18 C LIG 1 -8.883 -1.371 0.231 0.00 0.00 -0.002 C ENDBRANCH 16 18 ENDBRANCH 15 16 ENDBRANCH 11 15 ENDBRANCH 5 13 ENDBRANCH 1 7 BRANCH 3 19 ATOM 19 C LIG 1 0.503 1.388 0.241 0.00 0.00 +0.096 C BRANCH 19 20 ATOM 20 C LIG 1 1.789 2.136 -0.125 0.00 0.00 +0.009 C BRANCH 20 21 ATOM 21 C LIG 1 2.885 1.227 -0.690 0.00 0.00 +0.001 C BRANCH 21 22 ATOM 22 C LIG 1 3.419 0.214 0.326 0.00 0.00 +0.002 C BRANCH 22 23 ATOM 23 C LIG 1 4.526 -0.683 -0.236 0.00 0.00 +0.019 C BRANCH 23 24 ATOM 24 C LIG 1 5.824 0.067 -0.548 0.00 0.00 +0.103 C BRANCH 24 25 ATOM 25 N LIG 1 6.846 -0.900 -0.944 0.00 0.00 -0.329 N ATOM 26 H LIG 1 6.554 -1.462 -1.739 0.00 0.00 +0.147 HD BRANCH 25 27 ATOM 27 C LIG 1 8.110 -0.340 -1.216 0.00 0.00 +0.124 A ATOM 28 N LIG 1 8.330 0.969 -1.028 0.00 0.00 -0.221 NA ATOM 29 C LIG 1 9.572 1.409 -1.273 0.00 0.00 +0.225 A ATOM 30 N LIG 1 10.607 0.673 -1.697 0.00 0.00 -0.221 NA ATOM 31 C LIG 1 10.356 -0.626 -1.872 0.00 0.00 +0.121 A ATOM 32 C LIG 1 9.121 -1.186 -1.632 0.00 0.00 +0.086 A BRANCH 31 33 ATOM 33 N LIG 1 11.430 -1.418 -2.277 0.00 0.00 -0.343 N ATOM 34 H LIG 1 11.210 -1.964 -3.102 0.00 0.00 +0.144 HD ATOM 35 H LIG 1 12.223 -0.800 -2.430 0.00 0.00 +0.144 HD ENDBRANCH 31 33 ENDBRANCH 25 27 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 3 19 TORSDOF 14