REMARK Name = BDB055926 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.550 -1.743 -0.661 0.00 0.00 +0.034 A ATOM 2 C LIG 1 1.538 -2.452 -0.006 0.00 0.00 +0.025 A ATOM 3 C LIG 1 0.238 -1.939 0.074 0.00 0.00 +0.025 A ATOM 4 C LIG 1 -0.091 -0.725 -0.533 0.00 0.00 +0.031 A ATOM 5 C LIG 1 0.925 -0.016 -1.182 0.00 0.00 +0.025 A ATOM 6 C LIG 1 2.228 -0.528 -1.263 0.00 0.00 +0.025 A ENDROOT BRANCH 1 9 ATOM 7 O LIG 1 5.972 -2.646 -1.314 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 5.060 -1.864 -1.049 0.00 0.00 +0.251 C ATOM 9 N LIG 1 3.820 -2.345 -0.706 0.00 0.00 -0.281 N ATOM 10 H LIG 1 3.855 -3.336 -0.493 0.00 0.00 +0.155 HD BRANCH 8 11 ATOM 11 C LIG 1 5.368 -0.427 -1.053 0.00 0.00 +0.072 A ATOM 12 C LIG 1 5.141 0.359 0.079 0.00 0.00 +0.138 A ATOM 13 F LIG 1 4.614 -0.171 1.192 0.00 0.00 -0.205 F ATOM 14 C LIG 1 5.470 1.710 0.078 0.00 0.00 +0.077 A ATOM 15 C LIG 1 6.048 2.263 -1.058 0.00 0.00 +0.126 A ATOM 16 F LIG 1 6.367 3.564 -1.067 0.00 0.00 -0.205 F ATOM 17 C LIG 1 6.310 1.488 -2.186 0.00 0.00 +0.039 A ATOM 18 C LIG 1 5.979 0.132 -2.183 0.00 0.00 +0.019 A ENDBRANCH 8 11 ENDBRANCH 1 9 BRANCH 4 19 ATOM 19 N LIG 1 -1.380 -0.156 -0.420 0.00 0.00 -0.314 N ATOM 20 H LIG 1 -1.486 0.664 -1.015 0.00 0.00 +0.152 HD BRANCH 19 21 ATOM 21 C LIG 1 -2.629 -0.835 -0.343 0.00 0.00 +0.044 A ATOM 22 C LIG 1 -3.725 -0.294 0.372 0.00 0.00 +0.046 A ATOM 23 C LIG 1 -4.950 -0.957 0.179 0.00 0.00 +0.143 A ATOM 24 N LIG 1 -6.116 -0.444 0.731 0.00 0.00 -0.306 N ATOM 25 H LIG 1 -6.971 -0.938 0.520 0.00 0.00 +0.170 HD ATOM 26 C LIG 1 -6.201 0.710 1.454 0.00 0.00 +0.258 A ATOM 27 C LIG 1 -4.926 1.401 1.769 0.00 0.00 +0.047 A ATOM 28 C LIG 1 -4.980 2.530 2.604 0.00 0.00 +0.014 A ATOM 29 C LIG 1 -3.808 3.162 2.998 0.00 0.00 +0.001 A ATOM 30 C LIG 1 -2.587 2.652 2.575 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -2.539 1.528 1.739 0.00 0.00 +0.009 A ATOM 32 O LIG 1 -7.280 1.144 1.842 0.00 0.00 -0.267 OA ATOM 33 N LIG 1 -5.139 -2.069 -0.563 0.00 0.00 -0.237 NA ATOM 34 C LIG 1 -4.068 -2.562 -1.200 0.00 0.00 +0.115 A ATOM 35 C LIG 1 -3.706 0.888 1.279 0.00 0.00 -0.000 A ATOM 36 C LIG 1 -2.820 -1.978 -1.139 0.00 0.00 +0.043 A ENDBRANCH 19 21 ENDBRANCH 4 19 TORSDOF 4