REMARK Name = BDB007011 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.422 0.994 0.959 0.00 0.00 +0.234 C ATOM 2 N LIG 1 0.851 -0.233 0.473 0.00 0.00 -0.269 N ATOM 3 C LIG 1 1.867 -0.421 -0.486 0.00 0.00 +0.043 A ATOM 4 C LIG 1 2.023 -1.773 -0.767 0.00 0.00 -0.001 A ATOM 5 C LIG 1 2.977 -2.156 -1.683 0.00 0.00 +0.117 A ATOM 6 N LIG 1 3.771 -1.268 -2.317 0.00 0.00 -0.259 NA ATOM 7 C LIG 1 3.599 0.056 -2.034 0.00 0.00 +0.047 A ATOM 8 C LIG 1 1.049 -2.624 -0.003 0.00 0.00 +0.009 C ATOM 9 C LIG 1 1.751 -3.698 0.833 0.00 0.00 +0.017 C ATOM 10 C LIG 1 0.025 -3.265 -0.949 0.00 0.00 +0.017 C ATOM 11 C LIG 1 2.655 0.520 -1.119 0.00 0.00 +0.047 A ATOM 12 C LIG 1 0.376 -1.561 0.903 0.00 0.00 +0.124 C ATOM 13 O LIG 1 0.894 2.075 0.596 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 14 ATOM 14 C LIG 1 -0.717 0.979 2.002 0.00 0.00 +0.181 C BRANCH 14 21 ATOM 15 C LIG 1 -4.645 3.890 2.730 0.00 0.00 +0.025 C ATOM 16 C LIG 1 -4.161 2.693 1.915 0.00 0.00 +0.065 C ATOM 17 N LIG 1 -4.003 3.092 0.502 0.00 0.00 -0.311 NA ATOM 18 H LIG 1 -3.189 3.715 0.474 0.00 0.00 +0.122 HD ATOM 19 C LIG 1 -3.625 1.909 -0.308 0.00 0.00 +0.101 C ATOM 20 C LIG 1 -2.618 0.917 0.370 0.00 0.00 +0.085 C ATOM 21 N LIG 1 -1.922 1.628 1.466 0.00 0.00 -0.287 NA ATOM 22 C LIG 1 -2.840 2.112 2.506 0.00 0.00 +0.103 C BRANCH 20 23 ATOM 23 C LIG 1 -3.345 -0.399 0.809 0.00 0.00 +0.105 C BRANCH 23 24 ATOM 24 N LIG 1 -3.307 -1.474 -0.195 0.00 0.00 -0.293 NA ATOM 25 C LIG 1 -3.872 -2.734 0.322 0.00 0.00 +0.158 C ATOM 26 C LIG 1 -4.245 -3.464 -0.950 0.00 0.00 +0.148 C ATOM 27 O LIG 1 -4.585 -4.638 -1.007 0.00 0.00 -0.296 OA ATOM 28 C LIG 1 -4.135 -2.553 -2.135 0.00 0.00 +0.091 C ATOM 29 C LIG 1 -4.049 -1.202 -1.433 0.00 0.00 +0.092 C ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 14 21 ENDBRANCH 1 14 BRANCH 7 30 ATOM 30 C LIG 1 4.513 1.030 -2.743 0.00 0.00 +0.093 C BRANCH 30 31 ATOM 31 C LIG 1 5.688 1.464 -1.902 0.00 0.00 -0.006 A ATOM 32 C LIG 1 5.722 2.738 -1.326 0.00 0.00 +0.130 A ATOM 33 F LIG 1 4.709 3.591 -1.534 0.00 0.00 -0.205 F ATOM 34 C LIG 1 6.790 3.149 -0.537 0.00 0.00 +0.077 A ATOM 35 C LIG 1 7.840 2.269 -0.318 0.00 0.00 +0.126 A ATOM 36 F LIG 1 8.874 2.653 0.441 0.00 0.00 -0.205 F ATOM 37 C LIG 1 7.835 0.993 -0.872 0.00 0.00 +0.039 A ATOM 38 C LIG 1 6.759 0.587 -1.664 0.00 0.00 +0.009 A ENDBRANCH 30 31 ENDBRANCH 7 30 TORSDOF 6