REMARK Name = BDB041016 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.058 0.767 0.066 0.00 0.00 +0.083 C ATOM 2 C LIG 1 -0.675 -0.148 -0.948 0.00 0.00 +0.171 C ATOM 3 C LIG 1 0.200 -1.234 -1.628 0.00 0.00 +0.240 C ATOM 4 O LIG 1 -0.248 -1.915 -2.557 0.00 0.00 -0.273 OA ATOM 5 N LIG 1 1.425 -1.566 -1.109 0.00 0.00 -0.268 N ATOM 6 H LIG 1 1.870 -2.385 -1.502 0.00 0.00 +0.156 HD ATOM 7 C LIG 1 1.920 -0.918 -0.004 0.00 0.00 +0.133 A ATOM 8 N LIG 1 3.072 -1.186 0.726 0.00 0.00 -0.218 N ATOM 9 N LIG 1 3.067 -0.471 1.887 0.00 0.00 -0.170 NA ATOM 10 C LIG 1 2.037 0.376 1.779 0.00 0.00 +0.066 A ATOM 11 C LIG 1 1.787 1.391 2.832 0.00 0.00 +0.068 C ATOM 12 C LIG 1 1.293 0.139 0.605 0.00 0.00 +0.025 A ENDROOT BRANCH 1 17 ATOM 13 C LIG 1 1.569 5.924 -2.255 0.00 0.00 +0.044 C ATOM 14 C LIG 1 1.214 4.599 -1.649 0.00 0.00 -0.050 A ATOM 15 C LIG 1 1.795 3.421 -2.127 0.00 0.00 +0.003 A ATOM 16 C LIG 1 1.442 2.182 -1.585 0.00 0.00 +0.004 A ATOM 17 C LIG 1 0.497 2.092 -0.548 0.00 0.00 -0.038 A ATOM 18 C LIG 1 -0.101 3.279 -0.095 0.00 0.00 +0.004 A ATOM 19 C LIG 1 0.252 4.517 -0.639 0.00 0.00 +0.003 A ENDBRANCH 1 17 BRANCH 8 20 ATOM 20 C LIG 1 4.167 -2.046 0.429 0.00 0.00 +0.067 A ATOM 21 C LIG 1 4.444 -2.470 -0.877 0.00 0.00 +0.028 A ATOM 22 C LIG 1 5.529 -3.316 -1.126 0.00 0.00 +0.002 A ATOM 23 C LIG 1 6.351 -3.733 -0.080 0.00 0.00 +0.000 A ATOM 24 C LIG 1 6.101 -3.292 1.217 0.00 0.00 +0.002 A ATOM 25 C LIG 1 5.020 -2.445 1.472 0.00 0.00 +0.028 A ENDBRANCH 8 20 BRANCH 2 26 ATOM 26 N LIG 1 -1.809 -0.891 -0.363 0.00 0.00 -0.299 N ATOM 27 H LIG 1 -1.970 -1.815 -0.752 0.00 0.00 +0.150 HD ATOM 28 C LIG 1 -2.923 -0.222 0.101 0.00 0.00 +0.245 C ATOM 29 O LIG 1 -2.978 0.998 0.199 0.00 0.00 -0.270 OA BRANCH 28 30 ATOM 30 C LIG 1 -4.100 -1.063 0.455 0.00 0.00 +0.037 A ATOM 31 C LIG 1 -5.374 -0.482 0.405 0.00 0.00 +0.016 A ATOM 32 C LIG 1 -6.514 -1.232 0.722 0.00 0.00 -0.050 A ATOM 33 C LIG 1 -7.873 -0.596 0.693 0.00 0.00 +0.044 C ATOM 34 C LIG 1 -6.362 -2.564 1.124 0.00 0.00 +0.003 A ATOM 35 C LIG 1 -5.093 -3.144 1.191 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -3.962 -2.397 0.859 0.00 0.00 +0.013 A ENDBRANCH 28 30 ENDBRANCH 2 26 TORSDOF 4