REMARK Name = BDB028348 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.187 -2.667 -4.054 0.00 0.00 +0.173 C ATOM 2 N LIG 1 -0.010 -2.448 -3.276 0.00 0.00 -0.266 N ATOM 3 C LIG 1 -0.135 -2.096 -1.948 0.00 0.00 +0.080 A ATOM 4 C LIG 1 -1.484 -2.276 -1.655 0.00 0.00 +0.028 A ATOM 5 C LIG 1 -2.067 -2.699 -2.867 0.00 0.00 +0.143 A ATOM 6 N LIG 1 -1.179 -2.802 -3.850 0.00 0.00 -0.179 NA ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -2.169 -1.940 -0.421 0.00 0.00 -0.014 A ATOM 8 C LIG 1 -2.099 -0.637 0.100 0.00 0.00 +0.019 A ATOM 9 C LIG 1 -2.742 -0.323 1.304 0.00 0.00 +0.012 A ATOM 10 C LIG 1 -3.497 -1.296 1.952 0.00 0.00 +0.050 A ATOM 11 C LIG 1 -4.198 -0.948 3.198 0.00 0.00 +0.272 A ATOM 12 N LIG 1 -4.048 0.345 3.634 0.00 0.00 -0.242 N ATOM 13 H LIG 1 -4.522 0.603 4.494 0.00 0.00 +0.192 HD ATOM 14 N LIG 1 -3.282 1.306 3.048 0.00 0.00 -0.174 NA ATOM 15 O LIG 1 -4.879 -1.772 3.797 0.00 0.00 -0.266 OA ATOM 16 C LIG 1 -3.595 -2.590 1.425 0.00 0.00 +0.014 A ATOM 17 C LIG 1 -2.647 1.010 1.950 0.00 0.00 +0.083 A ATOM 18 C LIG 1 -2.928 -2.911 0.241 0.00 0.00 +0.009 A BRANCH 17 19 ATOM 19 C LIG 1 -1.756 2.075 1.299 0.00 0.00 +0.136 C BRANCH 19 20 ATOM 20 N LIG 1 -1.664 3.272 2.146 0.00 0.00 -0.325 NA ATOM 21 H LIG 1 -1.357 2.970 3.074 0.00 0.00 +0.119 HD ATOM 22 H LIG 1 -2.620 3.596 2.318 0.00 0.00 +0.119 HD ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 4 7 BRANCH 3 23 ATOM 23 C LIG 1 0.977 -1.612 -0.945 0.00 0.00 +0.056 A ATOM 24 C LIG 1 2.160 -0.941 -1.189 0.00 0.00 +0.147 A ATOM 25 N LIG 1 2.699 -0.662 0.045 0.00 0.00 -0.249 N ATOM 26 N LIG 1 1.993 -1.192 1.067 0.00 0.00 -0.177 NA ATOM 27 C LIG 1 0.943 -1.747 0.464 0.00 0.00 +0.145 A BRANCH 24 28 ATOM 28 C LIG 1 2.727 -0.464 -2.397 0.00 0.00 +0.119 C ATOM 29 N LIG 1 3.232 -0.090 -3.371 0.00 0.00 -0.189 NA ENDBRANCH 24 28 BRANCH 25 30 ATOM 30 C LIG 1 3.863 0.171 0.344 0.00 0.00 +0.180 C BRANCH 30 31 ATOM 31 C LIG 1 3.523 1.637 0.231 0.00 0.00 -0.026 A ATOM 32 C LIG 1 4.108 2.433 -0.764 0.00 0.00 +0.005 A ATOM 33 C LIG 1 3.765 3.782 -0.883 0.00 0.00 +0.000 A ATOM 34 C LIG 1 2.838 4.348 -0.011 0.00 0.00 +0.000 A ATOM 35 C LIG 1 2.255 3.571 0.987 0.00 0.00 +0.000 A ATOM 36 C LIG 1 2.600 2.225 1.112 0.00 0.00 +0.005 A ENDBRANCH 30 31 ENDBRANCH 25 30 ENDBRANCH 3 23 TORSDOF 7