REMARK Name = BDB038936 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.163 1.249 -0.723 0.00 0.00 +0.403 C ATOM 2 N LIG 1 5.291 0.415 -0.047 0.00 0.00 -0.263 N ATOM 3 C LIG 1 3.871 0.744 -0.107 0.00 0.00 +0.148 C ATOM 4 C LIG 1 2.952 -0.338 0.399 0.00 0.00 +0.001 A ATOM 5 C LIG 1 3.446 -1.540 0.955 0.00 0.00 -0.039 A ATOM 6 C LIG 1 2.568 -2.536 1.403 0.00 0.00 +0.006 A ATOM 7 C LIG 1 1.181 -2.369 1.342 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.700 -1.167 0.809 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -0.574 -0.662 0.596 0.00 0.00 -0.324 N ATOM 10 C LIG 1 -0.437 0.596 0.034 0.00 0.00 +0.114 A ATOM 11 N LIG 1 0.838 0.897 -0.120 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 4.935 -1.776 1.013 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.552 -0.171 0.347 0.00 0.00 +0.094 A ATOM 14 C LIG 1 5.716 -0.465 1.034 0.00 0.00 +0.116 C ATOM 15 O LIG 1 5.808 2.145 -1.480 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -1.552 1.524 -0.368 0.00 0.00 +0.056 C ATOM 17 C LIG 1 -1.542 1.725 -1.898 0.00 0.00 +0.026 C ATOM 18 C LIG 1 -2.373 2.938 -2.321 0.00 0.00 +0.098 C ATOM 19 C LIG 1 -1.835 4.234 -1.690 0.00 0.00 +0.015 C ATOM 20 C LIG 1 -0.959 4.005 -0.454 0.00 0.00 +0.001 C ATOM 21 C LIG 1 -1.468 2.856 0.408 0.00 0.00 +0.011 C BRANCH 18 22 ATOM 22 C LIG 1 -3.836 2.703 -1.994 0.00 0.00 +0.308 C ATOM 23 O LIG 1 -4.510 3.273 -1.154 0.00 0.00 -0.251 OA BRANCH 22 24 ATOM 24 O LIG 1 -4.375 1.719 -2.742 0.00 0.00 -0.480 OA ATOM 25 H LIG 1 -5.296 1.645 -2.413 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 18 22 ENDBRANCH 10 16 BRANCH 1 27 ATOM 26 C LIG 1 8.399 1.806 -1.144 0.00 0.00 +0.282 C ATOM 27 O LIG 1 7.469 0.968 -0.457 0.00 0.00 -0.454 OA ENDBRANCH 1 27 BRANCH 9 28 ATOM 28 C LIG 1 -1.808 -1.389 0.914 0.00 0.00 +0.090 C ATOM 29 C LIG 1 -2.616 -0.702 2.019 0.00 0.00 +0.031 C BRANCH 28 30 ATOM 30 C LIG 1 -2.601 -1.752 -0.360 0.00 0.00 +0.061 C BRANCH 30 31 ATOM 31 C LIG 1 -3.743 -2.716 -0.117 0.00 0.00 -0.027 A ATOM 32 C LIG 1 -5.086 -2.312 -0.036 0.00 0.00 +0.044 A ATOM 33 CL LIG 1 -5.563 -0.661 -0.224 0.00 0.00 -0.083 Cl ATOM 34 C LIG 1 -6.096 -3.248 0.206 0.00 0.00 +0.020 A ATOM 35 C LIG 1 -5.782 -4.597 0.368 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -4.456 -5.013 0.287 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -3.445 -4.082 0.047 0.00 0.00 +0.005 A ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 9 28 TORSDOF 7