REMARK Name = BDB009257 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 0.524 3.675 -1.432 0.00 0.00 -0.270 OA ATOM 2 C LIG 1 0.241 2.608 -0.902 0.00 0.00 +0.244 C ATOM 3 N LIG 1 0.558 2.308 0.407 0.00 0.00 -0.311 N ATOM 4 H LIG 1 0.564 1.338 0.692 0.00 0.00 +0.149 HD ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 -0.451 1.539 -1.678 0.00 0.00 +0.037 A ATOM 6 C LIG 1 -1.235 0.558 -1.053 0.00 0.00 +0.017 A ATOM 7 C LIG 1 -1.896 -0.420 -1.813 0.00 0.00 -0.041 A ATOM 8 C LIG 1 -1.756 -0.405 -3.209 0.00 0.00 +0.004 A ATOM 9 C LIG 1 -0.979 0.571 -3.835 0.00 0.00 +0.001 A ATOM 10 C LIG 1 -0.333 1.545 -3.072 0.00 0.00 +0.013 A BRANCH 7 11 ATOM 11 C LIG 1 -2.753 -1.474 -1.148 0.00 0.00 +0.092 C BRANCH 11 12 ATOM 12 C LIG 1 -4.247 -1.264 -1.384 0.00 0.00 +0.069 A ATOM 13 C LIG 1 -5.037 -0.391 -0.455 0.00 0.00 -0.016 A ATOM 14 C LIG 1 -4.400 0.245 0.751 0.00 0.00 +0.037 C ATOM 15 C LIG 1 -5.417 0.809 1.750 0.00 0.00 +0.005 C ATOM 16 C LIG 1 -6.514 1.580 1.026 0.00 0.00 +0.005 C ATOM 17 C LIG 1 -7.259 0.671 0.044 0.00 0.00 +0.041 C ATOM 18 C LIG 1 -6.337 -0.212 -0.753 0.00 0.00 +0.023 A ATOM 19 C LIG 1 -6.937 -0.906 -1.924 0.00 0.00 +0.268 A ATOM 20 O LIG 1 -8.126 -0.789 -2.208 0.00 0.00 -0.266 OA ATOM 21 N LIG 1 -6.085 -1.689 -2.656 0.00 0.00 -0.243 N ATOM 22 H LIG 1 -6.474 -2.170 -3.462 0.00 0.00 +0.192 HD ATOM 23 N LIG 1 -4.758 -1.865 -2.421 0.00 0.00 -0.175 NA ENDBRANCH 11 12 ENDBRANCH 7 11 ENDBRANCH 2 5 BRANCH 3 24 ATOM 24 C LIG 1 1.343 3.221 1.219 0.00 0.00 +0.109 C BRANCH 24 25 ATOM 25 C LIG 1 2.848 3.110 0.951 0.00 0.00 +0.054 C BRANCH 25 26 ATOM 26 C LIG 1 3.401 1.754 1.331 0.00 0.00 -0.046 A ATOM 27 C LIG 1 3.670 1.448 2.674 0.00 0.00 +0.007 A ATOM 28 C LIG 1 4.153 0.187 3.028 0.00 0.00 +0.046 A ATOM 29 C LIG 1 4.385 -0.770 2.041 0.00 0.00 +0.128 A ATOM 30 C LIG 1 4.099 -0.488 0.703 0.00 0.00 +0.046 A ATOM 31 C LIG 1 3.615 0.774 0.350 0.00 0.00 +0.007 A BRANCH 29 32 ATOM 32 O LIG 1 4.830 -2.006 2.453 0.00 0.00 -0.456 OA BRANCH 32 33 ATOM 33 C LIG 1 5.930 -2.525 1.806 0.00 0.00 +0.128 A ATOM 34 C LIG 1 7.074 -1.770 1.526 0.00 0.00 +0.046 A ATOM 35 C LIG 1 8.170 -2.375 0.907 0.00 0.00 +0.004 A ATOM 36 C LIG 1 8.125 -3.732 0.577 0.00 0.00 +0.000 A ATOM 37 C LIG 1 6.989 -4.488 0.872 0.00 0.00 +0.004 A ATOM 38 C LIG 1 5.896 -3.886 1.497 0.00 0.00 +0.046 A ENDBRANCH 32 33 ENDBRANCH 29 32 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 3 24 TORSDOF 8