REMARK Name = BDB008571 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.494 -1.252 -0.233 0.00 0.00 +0.132 A ATOM 2 C LIG 1 1.169 -2.616 -0.178 0.00 0.00 +0.062 A ATOM 3 C LIG 1 0.399 -3.067 0.884 0.00 0.00 +0.139 A ATOM 4 O LIG 1 0.169 -4.405 0.769 0.00 0.00 -0.463 OA ATOM 5 C LIG 1 0.797 -4.817 -0.364 0.00 0.00 +0.196 A ATOM 6 C LIG 1 -0.072 -2.256 1.917 0.00 0.00 +0.052 A ATOM 7 C LIG 1 0.255 -0.887 1.867 0.00 0.00 -0.020 A ATOM 8 C LIG 1 1.423 -3.761 -0.982 0.00 0.00 +0.053 A ATOM 9 C LIG 1 1.056 -0.413 0.806 0.00 0.00 +0.052 A ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 -0.199 0.100 2.938 0.00 0.00 +0.104 C ATOM 11 C LIG 1 -1.040 -0.468 4.092 0.00 0.00 +0.033 C BRANCH 10 12 ATOM 12 N LIG 1 -0.823 1.340 2.399 0.00 0.00 -0.289 N ATOM 13 C LIG 1 -2.077 1.402 1.767 0.00 0.00 +0.246 C ATOM 14 O LIG 1 -2.745 2.443 1.786 0.00 0.00 -0.273 OA BRANCH 13 15 ATOM 15 C LIG 1 -2.598 0.165 1.011 0.00 0.00 +0.217 C ATOM 16 O LIG 1 -1.841 0.002 -0.200 0.00 0.00 -0.365 OA ATOM 17 C LIG 1 -2.570 -0.635 -1.258 0.00 0.00 +0.176 C ATOM 18 C LIG 1 -3.666 -1.580 -0.746 0.00 0.00 +0.109 C ATOM 19 N LIG 1 -4.690 -0.873 0.042 0.00 0.00 -0.311 NA ATOM 20 H LIG 1 -5.086 -1.514 0.729 0.00 0.00 +0.122 HD ATOM 21 C LIG 1 -4.109 0.308 0.719 0.00 0.00 +0.122 C ENDBRANCH 13 15 BRANCH 12 22 ATOM 22 C LIG 1 -0.339 2.579 2.994 0.00 0.00 +0.077 C ATOM 23 C LIG 1 0.080 3.730 2.112 0.00 0.00 +0.024 C ATOM 24 C LIG 1 1.106 3.007 2.927 0.00 0.00 +0.024 C ENDBRANCH 12 22 ENDBRANCH 10 12 ENDBRANCH 7 10 BRANCH 1 25 ATOM 25 O LIG 1 2.259 -0.786 -1.273 0.00 0.00 -0.491 OA BRANCH 25 26 ATOM 26 C LIG 1 1.642 0.313 -1.954 0.00 0.00 +0.231 C BRANCH 26 27 ATOM 27 C LIG 1 2.223 0.414 -3.359 0.00 0.00 +0.069 C BRANCH 27 28 ATOM 28 C LIG 1 3.728 0.669 -3.345 0.00 0.00 +0.163 C BRANCH 28 30 ATOM 29 C LIG 1 4.122 2.055 -5.238 0.00 0.00 +0.193 C ATOM 30 O LIG 1 4.241 0.755 -4.676 0.00 0.00 -0.383 OA ENDBRANCH 28 30 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 1 25 TORSDOF 9