REMARK Name = BDB039256 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.159 -1.491 -0.091 0.00 0.00 +0.403 C ATOM 2 N LIG 1 5.220 -0.475 -0.109 0.00 0.00 -0.263 N ATOM 3 C LIG 1 3.862 -0.829 -0.507 0.00 0.00 +0.148 C ATOM 4 C LIG 1 2.829 0.237 -0.238 0.00 0.00 +0.001 A ATOM 5 C LIG 1 3.180 1.501 0.289 0.00 0.00 -0.039 A ATOM 6 C LIG 1 2.199 2.468 0.544 0.00 0.00 +0.006 A ATOM 7 C LIG 1 0.849 2.232 0.264 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.510 0.986 -0.275 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -0.681 0.407 -0.666 0.00 0.00 -0.324 N ATOM 10 C LIG 1 -0.396 -0.857 -1.138 0.00 0.00 +0.114 A ATOM 11 N LIG 1 0.889 -1.116 -1.061 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 4.620 1.791 0.635 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.468 0.006 -0.527 0.00 0.00 +0.094 A ATOM 14 C LIG 1 5.582 0.934 -0.183 0.00 0.00 +0.116 C ATOM 15 O LIG 1 5.889 -2.678 -0.241 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -1.422 -1.886 -1.708 0.00 0.00 +0.057 C ATOM 17 C LIG 1 -2.250 -2.633 -0.638 0.00 0.00 +0.026 C ATOM 18 C LIG 1 -2.141 -3.900 -1.529 0.00 0.00 +0.099 C ATOM 19 C LIG 1 -0.845 -3.268 -2.101 0.00 0.00 +0.026 C BRANCH 18 20 ATOM 20 C LIG 1 -2.017 -5.285 -0.857 0.00 0.00 +0.308 C ATOM 21 O LIG 1 -1.546 -6.312 -1.331 0.00 0.00 -0.251 OA BRANCH 20 22 ATOM 22 O LIG 1 -2.517 -5.330 0.402 0.00 0.00 -0.480 OA ATOM 23 H LIG 1 -2.347 -6.254 0.680 0.00 0.00 +0.295 HD ENDBRANCH 20 22 ENDBRANCH 18 20 ENDBRANCH 10 16 BRANCH 1 25 ATOM 24 C LIG 1 8.419 -2.055 0.146 0.00 0.00 +0.282 C ATOM 25 O LIG 1 7.424 -1.032 0.114 0.00 0.00 -0.454 OA ENDBRANCH 1 25 BRANCH 9 26 ATOM 26 C LIG 1 -2.019 1.002 -0.599 0.00 0.00 +0.090 C ATOM 27 C LIG 1 -2.137 2.216 -1.524 0.00 0.00 +0.031 C BRANCH 26 28 ATOM 28 C LIG 1 -2.440 1.279 0.861 0.00 0.00 +0.060 C BRANCH 28 29 ATOM 29 C LIG 1 -3.916 1.593 1.019 0.00 0.00 -0.043 A ATOM 30 C LIG 1 -4.396 2.894 1.279 0.00 0.00 -0.047 A ATOM 31 C LIG 1 -3.476 4.071 1.462 0.00 0.00 +0.044 C ATOM 32 C LIG 1 -5.781 3.101 1.399 0.00 0.00 +0.003 A ATOM 33 C LIG 1 -6.680 2.044 1.266 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -6.208 0.761 1.018 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -4.838 0.537 0.899 0.00 0.00 +0.004 A ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 9 26 TORSDOF 7