REMARK Name = BDB064538 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.885 -0.554 0.418 0.00 0.00 +0.112 A ATOM 2 N LIG 1 1.262 -0.745 -0.917 0.00 0.00 -0.190 N ATOM 3 C LIG 1 0.308 -0.718 -1.940 0.00 0.00 +0.254 A ATOM 4 N LIG 1 0.903 -0.944 -3.091 0.00 0.00 -0.197 NA ATOM 5 C LIG 1 2.210 -1.094 -2.752 0.00 0.00 +0.247 A ATOM 6 N LIG 1 -1.011 -0.488 -1.687 0.00 0.00 -0.211 NA ATOM 7 C LIG 1 -1.351 -0.282 -0.447 0.00 0.00 +0.077 A ATOM 8 N LIG 1 2.493 -0.992 -1.454 0.00 0.00 -0.151 NA ATOM 9 C LIG 1 -0.406 -0.330 0.716 0.00 0.00 +0.063 A ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 -2.780 -0.004 -0.127 0.00 0.00 +0.001 A ATOM 11 C LIG 1 -3.772 -0.638 -0.887 0.00 0.00 +0.010 A ATOM 12 C LIG 1 -5.121 -0.401 -0.617 0.00 0.00 +0.001 A ATOM 13 C LIG 1 -5.485 0.476 0.403 0.00 0.00 +0.000 A ATOM 14 C LIG 1 -4.502 1.125 1.150 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -3.151 0.891 0.885 0.00 0.00 +0.010 A ENDBRANCH 7 10 BRANCH 1 16 ATOM 16 S LIG 1 2.087 -0.643 1.671 0.00 0.00 -0.029 S BRANCH 16 19 ATOM 17 C LIG 1 5.194 0.099 0.943 0.00 0.00 +0.177 C ATOM 18 N LIG 1 4.140 1.065 1.065 0.00 0.00 -0.223 N ATOM 19 C LIG 1 2.818 0.888 1.347 0.00 0.00 +0.215 A ATOM 20 N LIG 1 2.220 2.057 1.327 0.00 0.00 -0.101 NA ATOM 21 N LIG 1 3.205 2.971 1.032 0.00 0.00 -0.022 NA ATOM 22 N LIG 1 4.380 2.375 0.873 0.00 0.00 -0.043 NA ENDBRANCH 16 19 ENDBRANCH 1 16 TORSDOF 3