REMARK Name = BDB051705 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.980 -2.880 -0.818 0.00 0.00 +0.173 C ATOM 2 N LIG 1 1.752 -1.704 -0.491 0.00 0.00 -0.264 N ATOM 3 C LIG 1 1.320 -0.556 0.101 0.00 0.00 +0.091 A ATOM 4 C LIG 1 -0.000 -0.181 0.569 0.00 0.00 +0.097 A ATOM 5 C LIG 1 -0.088 0.940 1.380 0.00 0.00 -0.001 A ATOM 6 C LIG 1 1.142 1.678 1.849 0.00 0.00 +0.043 C ATOM 7 C LIG 1 2.348 1.591 0.877 0.00 0.00 +0.044 C ATOM 8 C LIG 1 -1.361 1.247 1.782 0.00 0.00 +0.120 A ATOM 9 N LIG 1 -2.447 0.545 1.395 0.00 0.00 -0.223 NA ATOM 10 C LIG 1 -2.244 -0.529 0.611 0.00 0.00 +0.216 A ATOM 11 N LIG 1 -1.046 -0.917 0.165 0.00 0.00 -0.213 NA ATOM 12 C LIG 1 2.438 0.245 0.240 0.00 0.00 +0.012 A ATOM 13 C LIG 1 3.515 -0.496 -0.321 0.00 0.00 +0.151 A ATOM 14 N LIG 1 3.075 -1.692 -0.758 0.00 0.00 -0.166 NA ENDROOT BRANCH 13 15 ATOM 15 C LIG 1 4.929 -0.108 -0.459 0.00 0.00 +0.262 C ATOM 16 O LIG 1 5.876 -0.889 -0.460 0.00 0.00 -0.269 OA ATOM 17 N LIG 1 5.160 1.234 -0.638 0.00 0.00 -0.324 N ATOM 18 H LIG 1 6.107 1.449 -0.923 0.00 0.00 +0.145 HD ATOM 19 H LIG 1 4.425 1.808 -1.022 0.00 0.00 +0.145 HD ENDBRANCH 13 15 BRANCH 10 20 ATOM 20 N LIG 1 -3.311 -1.289 0.191 0.00 0.00 -0.311 N ATOM 21 H LIG 1 -3.038 -1.803 -0.638 0.00 0.00 +0.149 HD BRANCH 20 22 ATOM 22 C LIG 1 -4.660 -0.739 0.218 0.00 0.00 +0.132 C BRANCH 22 23 ATOM 23 C LIG 1 -4.859 0.409 -0.784 0.00 0.00 +0.174 C BRANCH 23 24 ATOM 24 O LIG 1 -4.448 1.668 -0.255 0.00 0.00 -0.393 OA ATOM 25 H LIG 1 -3.715 1.489 0.371 0.00 0.00 +0.209 HD ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 20 22 ENDBRANCH 10 20 TORSDOF 5