REMARK Name = BDB059675 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.519 0.496 0.352 0.00 0.00 +0.045 A ATOM 2 C LIG 1 -2.961 0.286 -0.057 0.00 0.00 +0.279 A ATOM 3 O LIG 1 -3.850 1.114 0.083 0.00 0.00 -0.265 OA ATOM 4 N LIG 1 -3.236 -0.968 -0.627 0.00 0.00 -0.179 N ATOM 5 C LIG 1 -2.304 -1.967 -0.811 0.00 0.00 +0.156 A ATOM 6 C LIG 1 -2.966 -3.021 -1.390 0.00 0.00 +0.114 A ATOM 7 C LIG 1 -4.294 -2.581 -1.522 0.00 0.00 +0.156 A ATOM 8 N LIG 1 -1.035 -1.731 -0.417 0.00 0.00 -0.338 N ATOM 9 H LIG 1 -0.298 -2.433 -0.502 0.00 0.00 +0.167 HD ATOM 10 N LIG 1 -4.474 -1.338 -1.062 0.00 0.00 -0.169 NA ATOM 11 C LIG 1 -0.642 -0.527 0.162 0.00 0.00 +0.060 A ENDROOT BRANCH 11 12 ATOM 12 C LIG 1 0.738 -0.445 0.535 0.00 0.00 +0.036 A ATOM 13 C LIG 1 1.812 -0.496 -0.326 0.00 0.00 +0.118 A ATOM 14 N LIG 1 2.917 -0.390 0.467 0.00 0.00 -0.268 N ATOM 15 N LIG 1 2.645 -0.318 1.779 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 1.310 -0.350 1.822 0.00 0.00 +0.144 A BRANCH 14 17 ATOM 17 C LIG 1 4.300 -0.405 -0.050 0.00 0.00 +0.107 C ATOM 18 C LIG 1 4.806 0.620 -1.038 0.00 0.00 +0.029 C ATOM 19 C LIG 1 5.320 0.628 0.371 0.00 0.00 +0.029 C ENDBRANCH 14 17 ENDBRANCH 11 12 BRANCH 1 21 ATOM 20 C LIG 1 -1.433 3.009 -0.053 0.00 0.00 +0.012 C ATOM 21 C LIG 1 -1.169 1.863 0.930 0.00 0.00 +0.020 C ATOM 22 C LIG 1 -1.849 2.116 2.278 0.00 0.00 +0.012 C ENDBRANCH 1 21 BRANCH 6 23 ATOM 23 C LIG 1 -2.420 -4.277 -1.771 0.00 0.00 +0.104 C ATOM 24 N LIG 1 -1.960 -5.296 -2.079 0.00 0.00 -0.191 NA ENDBRANCH 6 23 TORSDOF 4