REMARK Name = BDB016671 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.866 2.295 -0.894 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -2.863 1.178 -1.752 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -1.740 0.343 -1.767 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -0.608 0.574 -0.996 0.00 0.00 +0.027 A ATOM 5 C LIG 1 0.287 -0.498 -1.319 0.00 0.00 +0.102 A ATOM 6 N LIG 1 -0.276 -1.344 -2.199 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 -0.600 1.694 -0.145 0.00 0.00 +0.012 A ATOM 8 N LIG 1 -1.477 -0.806 -2.457 0.00 0.00 -0.276 N ATOM 9 H LIG 1 -2.083 -1.280 -3.115 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -1.723 2.536 -0.115 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -5.722 -0.796 1.146 0.00 0.00 +0.120 A ATOM 12 C LIG 1 -5.101 0.430 0.864 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -5.772 1.377 0.105 0.00 0.00 -0.007 A ATOM 14 C LIG 1 -5.423 2.759 -0.371 0.00 0.00 +0.081 C ATOM 15 C LIG 1 -4.060 3.220 -0.847 0.00 0.00 +0.040 C ATOM 16 C LIG 1 -6.662 3.216 -1.107 0.00 0.00 +0.228 C ATOM 17 N LIG 1 -7.571 2.175 -1.058 0.00 0.00 -0.284 N ATOM 18 H LIG 1 -8.488 2.234 -1.474 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 -6.806 4.304 -1.639 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 -4.620 3.704 0.476 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -7.068 1.085 -0.345 0.00 0.00 +0.038 A ATOM 22 C LIG 1 -7.711 -0.106 -0.086 0.00 0.00 +0.027 A ATOM 23 C LIG 1 -7.020 -1.059 0.670 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 -5.527 -2.916 2.214 0.00 0.00 +0.277 C ATOM 25 O LIG 1 -4.960 -1.652 1.895 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 1.632 -0.741 -0.813 0.00 0.00 +0.021 A ATOM 27 C LIG 1 2.535 0.287 -0.598 0.00 0.00 +0.123 A ATOM 28 N LIG 1 3.795 0.120 -0.116 0.00 0.00 -0.240 NA ATOM 29 C LIG 1 4.225 -1.133 0.151 0.00 0.00 +0.121 A ATOM 30 C LIG 1 3.372 -2.222 -0.039 0.00 0.00 +0.044 A ATOM 31 C LIG 1 2.077 -2.028 -0.529 0.00 0.00 +0.015 A BRANCH 29 32 ATOM 32 N LIG 1 5.507 -1.311 0.658 0.00 0.00 -0.313 N ATOM 33 C LIG 1 6.312 -2.445 0.171 0.00 0.00 +0.122 C ATOM 34 C LIG 1 7.726 -1.996 -0.266 0.00 0.00 +0.103 C ATOM 35 N LIG 1 8.493 -1.305 0.792 0.00 0.00 -0.302 NA ATOM 36 C LIG 1 9.610 -0.563 0.214 0.00 0.00 +0.105 C ATOM 37 C LIG 1 7.618 -0.431 1.607 0.00 0.00 +0.103 C ATOM 38 C LIG 1 6.253 -0.082 0.970 0.00 0.00 +0.122 C ENDBRANCH 29 32 ENDBRANCH 5 26 TORSDOF 4