REMARK Name = BDB012175 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.538 -2.955 1.294 0.00 0.00 +0.080 C ATOM 2 C LIG 1 -2.068 -1.878 2.289 0.00 0.00 +0.032 C ATOM 3 C LIG 1 -1.564 -0.611 1.599 0.00 0.00 +0.108 C ATOM 4 N LIG 1 -0.574 -0.956 0.585 0.00 0.00 -0.301 N ATOM 5 C LIG 1 0.773 -0.747 0.870 0.00 0.00 +0.216 C ATOM 6 O LIG 1 1.145 -0.233 1.924 0.00 0.00 -0.276 OA ATOM 7 C LIG 1 -1.080 -1.824 -0.475 0.00 0.00 +0.108 C ATOM 8 C LIG 1 -1.551 -3.147 0.128 0.00 0.00 +0.032 C ENDROOT BRANCH 1 11 ATOM 9 C LIG 1 -5.527 -1.679 -0.145 0.00 0.00 +0.248 A ATOM 10 O LIG 1 -4.191 -1.548 0.139 0.00 0.00 -0.420 OA ATOM 11 C LIG 1 -3.928 -2.711 0.810 0.00 0.00 +0.221 A ATOM 12 N LIG 1 -4.987 -3.483 0.923 0.00 0.00 -0.112 NA ATOM 13 N LIG 1 -6.024 -2.814 0.306 0.00 0.00 -0.107 NA BRANCH 9 16 ATOM 14 C LIG 1 -6.090 1.581 -1.981 0.00 0.00 +0.121 A ATOM 15 C LIG 1 -5.460 0.547 -1.279 0.00 0.00 +0.058 A ATOM 16 C LIG 1 -6.169 -0.595 -0.874 0.00 0.00 +0.042 A ATOM 17 C LIG 1 -7.532 -0.680 -1.187 0.00 0.00 +0.013 A ATOM 18 C LIG 1 -8.167 0.348 -1.887 0.00 0.00 +0.004 A ATOM 19 C LIG 1 -7.447 1.476 -2.284 0.00 0.00 +0.045 A BRANCH 14 21 ATOM 20 C LIG 1 -5.865 3.716 -3.004 0.00 0.00 +0.277 C ATOM 21 O LIG 1 -5.271 2.626 -2.310 0.00 0.00 -0.495 OA ENDBRANCH 14 21 ENDBRANCH 9 16 ENDBRANCH 1 11 BRANCH 5 22 ATOM 22 C LIG 1 1.774 -1.186 -0.190 0.00 0.00 +0.096 C BRANCH 22 23 ATOM 23 C LIG 1 3.224 -0.821 0.136 0.00 0.00 +0.017 C BRANCH 23 24 ATOM 24 C LIG 1 3.507 0.675 -0.016 0.00 0.00 +0.075 C BRANCH 24 25 ATOM 25 C LIG 1 4.978 0.960 0.183 0.00 0.00 +0.110 A ATOM 26 N LIG 1 5.792 0.665 -0.878 0.00 0.00 -0.310 N ATOM 27 H LIG 1 5.414 0.299 -1.739 0.00 0.00 +0.170 HD ATOM 28 C LIG 1 7.150 0.851 -0.859 0.00 0.00 +0.259 A ATOM 29 O LIG 1 7.856 0.584 -1.824 0.00 0.00 -0.267 OA ATOM 30 C LIG 1 7.700 1.391 0.396 0.00 0.00 +0.065 A ATOM 31 C LIG 1 6.797 1.660 1.428 0.00 0.00 +0.078 A ATOM 32 C LIG 1 7.292 2.173 2.629 0.00 0.00 +0.028 A ATOM 33 C LIG 1 8.660 2.411 2.791 0.00 0.00 +0.002 A ATOM 34 C LIG 1 9.549 2.137 1.750 0.00 0.00 +0.001 A ATOM 35 C LIG 1 9.071 1.625 0.545 0.00 0.00 +0.015 A ATOM 36 N LIG 1 5.416 1.433 1.303 0.00 0.00 -0.234 NA ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 5 22 TORSDOF 7