REMARK Name = BDB006083 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.101 1.488 1.480 0.00 0.00 +0.158 C ENDROOT BRANCH 1 8 ATOM 2 O LIG 1 -8.009 -0.970 -0.923 0.00 0.00 -0.266 OA ATOM 3 C LIG 1 -6.895 -0.523 -0.675 0.00 0.00 +0.273 A ATOM 4 C LIG 1 -6.290 -0.683 0.654 0.00 0.00 +0.053 A ATOM 5 C LIG 1 -5.031 -0.150 0.859 0.00 0.00 +0.057 A ATOM 6 C LIG 1 -4.364 -0.247 2.087 0.00 0.00 +0.077 A ATOM 7 N LIG 1 -3.075 0.292 2.306 0.00 0.00 -0.232 NA ATOM 8 C LIG 1 -2.504 0.900 1.298 0.00 0.00 +0.123 A ATOM 9 N LIG 1 -3.119 1.033 0.071 0.00 0.00 -0.325 N ATOM 10 H LIG 1 -2.630 1.501 -0.679 0.00 0.00 +0.169 HD ATOM 11 C LIG 1 -5.016 -0.912 3.127 0.00 0.00 +0.028 A ATOM 12 C LIG 1 -6.293 -1.458 2.937 0.00 0.00 +0.003 A ATOM 13 C LIG 1 -4.357 0.545 -0.241 0.00 0.00 +0.162 A ATOM 14 N LIG 1 -4.892 0.686 -1.418 0.00 0.00 -0.153 NA ATOM 15 C LIG 1 -6.934 -1.345 1.699 0.00 0.00 +0.014 A ATOM 16 N LIG 1 -6.140 0.154 -1.611 0.00 0.00 -0.241 N ATOM 17 H LIG 1 -6.544 0.272 -2.535 0.00 0.00 +0.192 HD ENDBRANCH 1 8 BRANCH 1 18 ATOM 18 N LIG 1 -0.064 0.481 1.186 0.00 0.00 -0.295 NA ATOM 19 C LIG 1 1.259 0.900 1.673 0.00 0.00 +0.085 C ATOM 20 C LIG 1 2.165 1.462 0.579 0.00 0.00 +0.023 C ATOM 21 C LIG 1 2.397 0.441 -0.551 0.00 0.00 +0.023 C ATOM 22 C LIG 1 1.264 -0.598 -0.623 0.00 0.00 +0.023 C ATOM 23 C LIG 1 -0.065 0.032 -0.212 0.00 0.00 +0.085 C BRANCH 21 24 ATOM 24 C LIG 1 3.754 -0.213 -0.472 0.00 0.00 -0.019 A ATOM 25 C LIG 1 4.811 -0.116 -1.439 0.00 0.00 +0.003 A ATOM 26 C LIG 1 5.885 -0.872 -0.967 0.00 0.00 +0.047 A ATOM 27 C LIG 1 7.091 -1.000 -1.666 0.00 0.00 +0.026 A ATOM 28 C LIG 1 7.206 -0.333 -2.889 0.00 0.00 +0.002 A ATOM 29 C LIG 1 6.155 0.430 -3.390 0.00 0.00 +0.001 A ATOM 30 N LIG 1 5.502 -1.410 0.238 0.00 0.00 -0.360 N ATOM 31 H LIG 1 6.082 -2.008 0.808 0.00 0.00 +0.165 HD ATOM 32 C LIG 1 4.955 0.546 -2.677 0.00 0.00 +0.010 A ATOM 33 C LIG 1 4.227 -1.020 0.547 0.00 0.00 +0.087 A ENDBRANCH 21 24 ENDBRANCH 1 18 TORSDOF 3