REMARK Name = BDB005018 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.614 -1.063 2.218 0.00 0.00 -0.029 A ATOM 2 C LIG 1 0.638 -0.593 1.779 0.00 0.00 +0.028 A ATOM 3 C LIG 1 1.592 -1.468 1.256 0.00 0.00 +0.034 A ATOM 4 C LIG 1 1.292 -2.834 1.187 0.00 0.00 +0.023 A ATOM 5 C LIG 1 0.052 -3.312 1.615 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -0.899 -2.430 2.123 0.00 0.00 +0.005 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 2.863 -1.062 0.796 0.00 0.00 -0.281 N ATOM 8 H LIG 1 3.464 -1.804 0.463 0.00 0.00 +0.155 HD ATOM 9 C LIG 1 3.323 0.234 0.647 0.00 0.00 +0.248 C ATOM 10 O LIG 1 2.680 1.265 0.805 0.00 0.00 -0.270 OA BRANCH 9 11 ATOM 11 C LIG 1 4.740 0.348 0.192 0.00 0.00 +0.039 A ATOM 12 C LIG 1 5.067 1.410 -0.670 0.00 0.00 +0.040 A ATOM 13 C LIG 1 6.397 1.497 -1.087 0.00 0.00 +0.067 A ATOM 14 C LIG 1 7.384 0.604 -0.683 0.00 0.00 +0.089 A ATOM 15 N LIG 1 8.594 0.924 -1.246 0.00 0.00 -0.236 NA ATOM 16 C LIG 1 8.364 1.993 -1.973 0.00 0.00 +0.197 A ATOM 17 C LIG 1 7.049 -0.439 0.193 0.00 0.00 +0.030 A ATOM 18 N LIG 1 7.055 2.378 -1.907 0.00 0.00 -0.344 N ATOM 19 H LIG 1 6.645 3.172 -2.378 0.00 0.00 +0.167 HD ATOM 20 C LIG 1 5.721 -0.555 0.631 0.00 0.00 +0.015 A ENDBRANCH 9 11 ENDBRANCH 3 7 BRANCH 1 21 ATOM 21 C LIG 1 -1.644 -0.094 2.754 0.00 0.00 +0.138 C BRANCH 21 22 ATOM 22 N LIG 1 -2.263 0.664 1.670 0.00 0.00 -0.324 N ATOM 23 H LIG 1 -1.572 0.888 0.959 0.00 0.00 +0.148 HD BRANCH 22 27 ATOM 24 C LIG 1 -5.703 0.787 -1.743 0.00 0.00 +0.063 A ATOM 25 C LIG 1 -5.112 0.150 -0.631 0.00 0.00 +0.088 A ATOM 26 C LIG 1 -3.985 0.764 -0.050 0.00 0.00 +0.041 A ATOM 27 C LIG 1 -3.396 0.100 1.050 0.00 0.00 +0.130 A ATOM 28 N LIG 1 -3.914 -1.028 1.558 0.00 0.00 -0.220 NA ATOM 29 C LIG 1 -4.985 -1.526 0.945 0.00 0.00 +0.223 A ATOM 30 C LIG 1 -3.500 1.993 -0.567 0.00 0.00 +0.013 A ATOM 31 C LIG 1 -4.099 2.606 -1.659 0.00 0.00 +0.002 A ATOM 32 N LIG 1 -5.598 -1.005 -0.123 0.00 0.00 -0.235 NA ATOM 33 C LIG 1 -5.196 2.001 -2.248 0.00 0.00 +0.015 A BRANCH 24 37 ATOM 34 N LIG 1 -7.437 -0.933 -2.033 0.00 0.00 -0.325 N ATOM 35 H LIG 1 -7.053 -1.417 -1.227 0.00 0.00 +0.145 HD ATOM 36 H LIG 1 -8.252 -1.300 -2.502 0.00 0.00 +0.145 HD ATOM 37 C LIG 1 -6.897 0.241 -2.464 0.00 0.00 +0.244 C ATOM 38 O LIG 1 -7.390 0.825 -3.424 0.00 0.00 -0.270 OA ENDBRANCH 24 37 ENDBRANCH 22 27 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 6