REMARK Name = BDB001551 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.198 -0.576 -0.354 0.00 0.00 +0.100 A ATOM 2 C LIG 1 0.027 0.146 -0.267 0.00 0.00 +0.013 A ATOM 3 C LIG 1 0.001 1.523 0.027 0.00 0.00 +0.063 A ATOM 4 C LIG 1 1.260 2.182 0.086 0.00 0.00 +0.129 A ATOM 5 N LIG 1 2.436 1.561 -0.121 0.00 0.00 -0.217 NA ATOM 6 C LIG 1 2.473 0.246 -0.382 0.00 0.00 +0.124 A ATOM 7 C LIG 1 -1.281 2.097 0.220 0.00 0.00 +0.129 A ATOM 8 N LIG 1 -2.426 1.393 0.147 0.00 0.00 -0.216 NA ATOM 9 C LIG 1 1.287 -0.467 -0.472 0.00 0.00 +0.053 A ATOM 10 C LIG 1 -2.416 0.072 -0.122 0.00 0.00 +0.141 A ENDROOT BRANCH 6 11 ATOM 11 N LIG 1 3.695 -0.345 -0.595 0.00 0.00 -0.315 N ATOM 12 C LIG 1 3.959 -1.767 -0.407 0.00 0.00 +0.106 C ATOM 13 C LIG 1 5.444 -1.830 -0.048 0.00 0.00 +0.020 C ATOM 14 C LIG 1 6.018 -0.568 -0.672 0.00 0.00 +0.020 C ATOM 15 C LIG 1 4.907 0.452 -0.441 0.00 0.00 +0.106 C ENDBRANCH 6 11 BRANCH 10 16 ATOM 16 N LIG 1 -3.650 -0.569 -0.189 0.00 0.00 -0.314 N ATOM 17 C LIG 1 -4.845 0.284 -0.163 0.00 0.00 +0.106 C ATOM 18 C LIG 1 -5.967 -0.697 0.153 0.00 0.00 +0.020 C ATOM 19 C LIG 1 -5.306 -1.605 1.175 0.00 0.00 +0.020 C ATOM 20 C LIG 1 -3.882 -1.765 0.638 0.00 0.00 +0.106 C ENDBRANCH 10 16 BRANCH 4 21 ATOM 21 N LIG 1 1.391 3.564 0.269 0.00 0.00 -0.343 N ATOM 22 H LIG 1 1.082 4.055 -0.562 0.00 0.00 +0.144 HD ATOM 23 H LIG 1 0.895 3.881 1.091 0.00 0.00 +0.144 HD ENDBRANCH 4 21 BRANCH 7 24 ATOM 24 N LIG 1 -1.477 3.431 0.591 0.00 0.00 -0.343 N ATOM 25 H LIG 1 -1.157 3.582 1.541 0.00 0.00 +0.144 HD ATOM 26 H LIG 1 -1.013 4.062 -0.050 0.00 0.00 +0.144 HD ENDBRANCH 7 24 BRANCH 1 28 ATOM 27 N LIG 1 -1.116 -3.091 -0.993 0.00 0.00 -0.191 NA ATOM 28 C LIG 1 -1.181 -1.963 -0.722 0.00 0.00 +0.103 C ENDBRANCH 1 28 TORSDOF 5