REMARK Name = BDB051011 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.455 -0.676 -1.895 0.00 0.00 -0.215 N ATOM 2 C LIG 1 1.311 -1.254 -0.996 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.983 -1.882 0.002 0.00 0.00 -0.272 OA ATOM 4 C LIG 1 2.742 -0.938 -1.451 0.00 0.00 +0.138 C ATOM 5 C LIG 1 3.514 -0.102 -0.470 0.00 0.00 -0.011 A ATOM 6 C LIG 1 4.489 -0.877 0.180 0.00 0.00 -0.030 A ATOM 7 C LIG 1 5.311 -0.318 1.156 0.00 0.00 +0.040 A ATOM 8 C LIG 1 5.132 1.038 1.475 0.00 0.00 +0.013 A ATOM 9 C LIG 1 4.153 1.808 0.825 0.00 0.00 +0.001 A ATOM 10 C LIG 1 4.423 -2.301 -0.291 0.00 0.00 +0.039 C ATOM 11 C LIG 1 3.336 1.239 -0.152 0.00 0.00 +0.006 A ATOM 12 C LIG 1 3.627 -2.179 -1.599 0.00 0.00 +0.045 C ATOM 13 N LIG 1 2.488 -0.272 -2.700 0.00 0.00 -0.281 N ATOM 14 H LIG 1 3.166 0.282 -3.206 0.00 0.00 +0.152 HD ATOM 15 C LIG 1 1.144 -0.030 -2.873 0.00 0.00 +0.310 C ATOM 16 O LIG 1 0.687 0.663 -3.766 0.00 0.00 -0.252 OA ENDROOT BRANCH 7 17 ATOM 17 C LIG 1 6.328 -1.143 1.863 0.00 0.00 +0.242 C ATOM 18 O LIG 1 6.211 -2.353 2.004 0.00 0.00 -0.270 OA ATOM 19 N LIG 1 7.439 -0.494 2.328 0.00 0.00 -0.325 N ATOM 20 H LIG 1 7.696 0.428 2.006 0.00 0.00 +0.145 HD ATOM 21 H LIG 1 8.174 -1.084 2.695 0.00 0.00 +0.145 HD ENDBRANCH 7 17 BRANCH 1 22 ATOM 22 C LIG 1 -0.971 -0.568 -1.694 0.00 0.00 +0.213 C BRANCH 22 24 ATOM 23 N LIG 1 -2.568 0.793 -0.311 0.00 0.00 -0.293 N ATOM 24 C LIG 1 -1.260 0.641 -0.786 0.00 0.00 +0.234 C ATOM 25 O LIG 1 -0.364 1.443 -0.501 0.00 0.00 -0.274 OA BRANCH 23 27 ATOM 26 C LIG 1 -3.739 1.727 1.720 0.00 0.00 +0.028 C ATOM 27 C LIG 1 -2.879 1.998 0.483 0.00 0.00 +0.076 C BRANCH 27 28 ATOM 28 C LIG 1 -3.539 3.030 -0.408 0.00 0.00 +0.009 C ATOM 29 C LIG 1 -3.285 4.501 -0.188 0.00 0.00 +0.005 C ATOM 30 C LIG 1 -2.728 3.820 -1.405 0.00 0.00 +0.005 C ENDBRANCH 27 28 ENDBRANCH 23 27 BRANCH 23 31 ATOM 31 C LIG 1 -3.661 -0.115 -0.675 0.00 0.00 +0.143 C BRANCH 31 32 ATOM 32 C LIG 1 -3.890 -1.270 0.278 0.00 0.00 -0.030 A ATOM 33 C LIG 1 -2.920 -1.730 1.181 0.00 0.00 +0.005 A ATOM 34 C LIG 1 -3.177 -2.824 2.010 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -4.404 -3.479 1.946 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -5.376 -3.042 1.051 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -5.119 -1.950 0.220 0.00 0.00 +0.005 A ENDBRANCH 31 32 ENDBRANCH 23 31 ENDBRANCH 22 24 ENDBRANCH 1 22 TORSDOF 7