REMARK Name = BDB059501 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.204 -1.691 -0.608 0.00 0.00 +0.251 C ATOM 2 N LIG 1 -0.780 -0.446 -0.427 0.00 0.00 -0.308 N ATOM 3 H LIG 1 -0.363 0.343 -0.904 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 -0.844 -2.719 -0.392 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 11 ATOM 5 C LIG 1 6.745 -1.114 -1.112 0.00 0.00 +0.247 C ATOM 6 N LIG 1 5.730 -0.965 -2.051 0.00 0.00 -0.293 N ATOM 7 C LIG 1 4.548 -0.110 -1.865 0.00 0.00 +0.144 C ATOM 8 C LIG 1 3.349 -0.997 -1.667 0.00 0.00 -0.019 A ATOM 9 C LIG 1 3.347 -2.333 -2.027 0.00 0.00 -0.003 A ATOM 10 S LIG 1 1.874 -3.105 -1.701 0.00 0.00 -0.088 S ATOM 11 C LIG 1 1.175 -1.662 -1.083 0.00 0.00 +0.074 A ATOM 12 C LIG 1 4.533 -3.055 -2.603 0.00 0.00 +0.062 C ATOM 13 C LIG 1 2.084 -0.615 -1.119 0.00 0.00 +0.026 A ATOM 14 C LIG 1 5.578 -2.020 -3.062 0.00 0.00 +0.113 C ATOM 15 O LIG 1 7.634 -1.958 -1.186 0.00 0.00 -0.270 OA BRANCH 5 20 ATOM 16 C LIG 1 6.791 2.398 3.456 0.00 0.00 +0.044 C ATOM 17 C LIG 1 6.758 1.493 2.260 0.00 0.00 -0.050 A ATOM 18 C LIG 1 7.455 1.844 1.093 0.00 0.00 +0.004 A ATOM 19 C LIG 1 7.456 0.993 -0.014 0.00 0.00 +0.013 A ATOM 20 C LIG 1 6.757 -0.213 0.052 0.00 0.00 +0.037 A ATOM 21 C LIG 1 6.082 -0.592 1.215 0.00 0.00 +0.013 A ATOM 22 C LIG 1 6.085 0.263 2.318 0.00 0.00 +0.004 A ENDBRANCH 5 20 ENDBRANCH 1 11 BRANCH 2 23 ATOM 23 C LIG 1 -2.203 -0.323 -0.158 0.00 0.00 +0.137 C BRANCH 23 24 ATOM 24 C LIG 1 -2.564 1.120 0.199 0.00 0.00 +0.145 C BRANCH 24 25 ATOM 25 O LIG 1 -2.261 1.960 -0.932 0.00 0.00 -0.389 OA ATOM 26 H LIG 1 -3.077 1.931 -1.475 0.00 0.00 +0.210 HD ENDBRANCH 24 25 BRANCH 24 27 ATOM 27 C LIG 1 -4.044 1.324 0.592 0.00 0.00 +0.117 C BRANCH 27 28 ATOM 28 N LIG 1 -4.939 1.187 -0.582 0.00 0.00 -0.295 NA ATOM 29 C LIG 1 -5.599 -0.138 -0.627 0.00 0.00 +0.120 C ATOM 30 C LIG 1 -6.735 -0.328 0.357 0.00 0.00 -0.030 A ATOM 31 C LIG 1 -7.416 0.777 0.898 0.00 0.00 -0.042 A ATOM 32 C LIG 1 -8.483 0.570 1.784 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -8.885 -0.723 2.113 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -8.223 -1.819 1.565 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -6.968 2.178 0.574 0.00 0.00 +0.051 C ATOM 36 C LIG 1 -7.156 -1.624 0.689 0.00 0.00 +0.005 A ATOM 37 C LIG 1 -5.988 2.227 -0.609 0.00 0.00 +0.089 C ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 23 24 ENDBRANCH 2 23 TORSDOF 7