REMARK Name = BDB024905 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.281 0.406 -0.091 0.00 0.00 +0.407 C ATOM 2 N LIG 1 5.219 -0.509 -0.128 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.599 -1.929 -0.143 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.616 -2.517 1.272 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.730 -2.715 -1.119 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.267 -2.612 -0.742 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.861 -1.202 -0.412 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.485 -0.874 -0.368 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.407 -1.683 -0.619 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.668 -0.942 -0.435 0.00 0.00 +0.114 A ATOM 11 N LIG 1 -0.312 0.356 -0.106 0.00 0.00 -0.324 N ATOM 12 C LIG 1 1.067 0.402 -0.021 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.977 1.399 0.329 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.340 1.069 0.293 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.811 -0.195 -0.096 0.00 0.00 +0.045 A ATOM 16 O LIG 1 7.442 0.083 0.154 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.225 1.479 0.094 0.00 0.00 +0.089 C ATOM 18 C LIG 1 -1.259 1.967 1.555 0.00 0.00 +0.026 C ATOM 19 C LIG 1 -1.588 3.457 1.679 0.00 0.00 +0.011 C ATOM 20 C LIG 1 -2.623 3.865 0.622 0.00 0.00 -0.004 C ATOM 21 C LIG 1 -4.072 3.333 0.868 0.00 0.00 +0.089 C ATOM 22 N LIG 1 -4.351 4.569 1.622 0.00 0.00 -0.315 NA ATOM 23 H LIG 1 -5.285 4.956 1.489 0.00 0.00 +0.122 HD ATOM 24 C LIG 1 -3.280 5.255 0.873 0.00 0.00 +0.089 C ATOM 25 C LIG 1 -2.092 3.693 -0.809 0.00 0.00 +0.011 C ATOM 26 C LIG 1 -0.996 2.626 -0.900 0.00 0.00 +0.026 C ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 7.039 2.597 -0.464 0.00 0.00 +0.282 C ATOM 28 O LIG 1 5.944 1.681 -0.433 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.082 -1.450 -0.578 0.00 0.00 +0.056 C ATOM 30 C LIG 1 -2.583 -1.184 -2.002 0.00 0.00 +0.016 C BRANCH 29 31 ATOM 31 C LIG 1 -2.145 -2.955 -0.226 0.00 0.00 +0.046 C BRANCH 31 32 ATOM 32 C LIG 1 -3.555 -3.483 -0.077 0.00 0.00 -0.044 A ATOM 33 C LIG 1 -4.136 -4.255 -1.094 0.00 0.00 +0.045 A ATOM 34 C LIG 1 -5.438 -4.728 -0.951 0.00 0.00 +0.159 A ATOM 35 F LIG 1 -5.982 -5.460 -1.933 0.00 0.00 -0.202 F ATOM 36 C LIG 1 -6.168 -4.442 0.195 0.00 0.00 +0.158 A ATOM 37 F LIG 1 -7.422 -4.897 0.329 0.00 0.00 -0.202 F ATOM 38 C LIG 1 -5.607 -3.681 1.215 0.00 0.00 +0.041 A ATOM 39 C LIG 1 -4.302 -3.201 1.079 0.00 0.00 +0.006 A ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 10 29 TORSDOF 5