REMARK Name = BDB003159 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.673 -2.064 1.137 0.00 0.00 +0.425 NA ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 1.270 -1.389 -0.240 0.00 0.00 +0.224 C ATOM 3 N LIG 1 0.352 -1.089 0.759 0.00 0.00 -0.403 N ATOM 4 H LIG 1 0.649 -0.511 1.535 0.00 0.00 +0.121 HD ATOM 5 O LIG 1 1.213 -2.322 -1.035 0.00 0.00 -0.272 OA BRANCH 2 10 ATOM 6 C LIG 1 5.847 2.163 -0.632 0.00 0.00 +0.044 C ATOM 7 C LIG 1 4.651 1.262 -0.552 0.00 0.00 -0.050 A ATOM 8 C LIG 1 3.445 1.731 -0.017 0.00 0.00 +0.004 A ATOM 9 C LIG 1 2.338 0.883 0.088 0.00 0.00 +0.013 A ATOM 10 C LIG 1 2.430 -0.451 -0.325 0.00 0.00 +0.035 A ATOM 11 C LIG 1 3.635 -0.921 -0.860 0.00 0.00 +0.013 A ATOM 12 C LIG 1 4.741 -0.073 -0.964 0.00 0.00 +0.004 A ENDBRANCH 2 10 ENDBRANCH 1 3 BRANCH 1 13 ATOM 13 C LIG 1 -1.905 -1.689 0.752 0.00 0.00 -0.094 C ATOM 14 C LIG 1 -3.015 -2.642 1.072 0.00 0.00 -0.016 C BRANCH 13 15 ATOM 15 C LIG 1 -2.130 -0.543 -0.204 0.00 0.00 +0.149 C BRANCH 15 16 ATOM 16 N LIG 1 -3.512 -0.071 -0.282 0.00 0.00 -0.163 N ATOM 17 N LIG 1 -3.991 0.949 0.485 0.00 0.00 -0.106 NA ATOM 18 C LIG 1 -5.242 1.001 0.004 0.00 0.00 +0.348 A ATOM 19 N LIG 1 -5.510 0.141 -1.019 0.00 0.00 -0.083 NA ATOM 20 N LIG 1 -4.384 -0.535 -1.219 0.00 0.00 -0.044 NA BRANCH 18 21 ATOM 21 N LIG 1 -6.227 1.930 0.498 0.00 0.00 +0.098 N ATOM 22 O LIG 1 -7.360 1.876 -0.009 0.00 0.00 -0.123 OA ATOM 23 O LIG 1 -5.893 2.731 1.388 0.00 0.00 -0.123 OA ENDBRANCH 18 21 ENDBRANCH 15 16 ENDBRANCH 13 15 ENDBRANCH 1 13 TORSDOF 6