REMARK Name = BDB059215 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.211 -1.339 0.122 0.00 0.00 +0.049 A ATOM 2 C LIG 1 1.503 -0.731 0.086 0.00 0.00 +0.051 A ATOM 3 C LIG 1 2.636 -1.555 0.098 0.00 0.00 +0.025 A ATOM 4 C LIG 1 2.509 -2.946 0.110 0.00 0.00 +0.002 A ATOM 5 C LIG 1 1.248 -3.533 0.099 0.00 0.00 +0.002 A ATOM 6 C LIG 1 0.104 -2.733 0.093 0.00 0.00 +0.025 A ENDROOT BRANCH 2 7 ATOM 7 N LIG 1 1.574 0.680 0.028 0.00 0.00 -0.324 N ATOM 8 C LIG 1 2.686 1.349 0.732 0.00 0.00 +0.133 C ATOM 9 C LIG 1 2.639 2.853 0.420 0.00 0.00 +0.178 C ATOM 10 O LIG 1 2.825 3.153 -0.973 0.00 0.00 -0.377 OA ATOM 11 C LIG 1 2.496 2.057 -1.841 0.00 0.00 +0.178 C ATOM 12 C LIG 1 1.315 1.210 -1.339 0.00 0.00 +0.133 C ENDBRANCH 2 7 BRANCH 1 13 ATOM 13 N LIG 1 -0.918 -0.475 0.099 0.00 0.00 -0.331 N ATOM 14 H LIG 1 -0.520 0.433 0.368 0.00 0.00 +0.147 HD BRANCH 13 21 ATOM 15 O LIG 1 -5.192 0.975 -1.103 0.00 0.00 -0.275 OA ATOM 16 C LIG 1 -4.209 0.476 -0.560 0.00 0.00 +0.219 C ATOM 17 N LIG 1 -3.889 -0.840 -0.756 0.00 0.00 -0.255 N ATOM 18 H LIG 1 -4.570 -1.359 -1.292 0.00 0.00 +0.158 HD ATOM 19 C LIG 1 -3.123 -1.603 0.093 0.00 0.00 +0.239 C ATOM 20 O LIG 1 -3.311 -2.817 0.180 0.00 0.00 -0.273 OA ATOM 21 C LIG 1 -2.077 -0.851 0.926 0.00 0.00 +0.158 C ATOM 22 C LIG 1 -2.744 0.416 1.471 0.00 0.00 +0.041 C ATOM 23 C LIG 1 -3.299 1.274 0.341 0.00 0.00 +0.098 C ENDBRANCH 13 21 ENDBRANCH 1 13 TORSDOF 3