REMARK Name = BDB024970 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.817 0.330 -1.510 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.603 1.034 -1.441 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.681 2.501 -1.619 0.00 0.00 +0.082 C ATOM 4 C LIG 1 4.971 2.862 -3.085 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.431 3.277 -1.175 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.816 2.642 0.054 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.438 1.237 -0.314 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.214 0.660 0.080 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.196 1.216 0.806 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.750 0.300 0.902 0.00 0.00 +0.117 A ATOM 11 N LIG 1 -0.351 -0.870 0.273 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.900 -0.643 -0.277 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.772 -1.427 -1.039 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.993 -0.852 -1.418 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.349 0.454 -1.057 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.886 0.857 -1.816 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.071 -2.139 0.163 0.00 0.00 +0.089 C ATOM 18 C LIG 1 -2.284 -2.051 -0.776 0.00 0.00 +0.026 C ATOM 19 C LIG 1 -2.999 -3.395 -0.908 0.00 0.00 +0.017 C ATOM 20 C LIG 1 -3.362 -3.982 0.459 0.00 0.00 +0.098 C ATOM 21 C LIG 1 -2.117 -4.121 1.343 0.00 0.00 +0.017 C ATOM 22 C LIG 1 -1.400 -2.783 1.520 0.00 0.00 +0.026 C BRANCH 20 23 ATOM 23 C LIG 1 -4.046 -5.319 0.279 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -3.570 -6.423 0.476 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -5.313 -5.186 -0.157 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -5.644 -6.105 -0.232 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 20 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 6.967 -1.702 -1.165 0.00 0.00 +0.282 C ATOM 28 O LIG 1 5.734 -0.982 -1.148 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.049 0.514 1.623 0.00 0.00 +0.130 C BRANCH 29 30 ATOM 30 C LIG 1 -2.747 1.836 1.367 0.00 0.00 +0.052 A ATOM 31 N LIG 1 -3.581 2.259 2.354 0.00 0.00 -0.216 NA ATOM 32 C LIG 1 -4.276 3.408 2.157 0.00 0.00 +0.234 A ATOM 33 C LIG 1 -4.194 4.158 0.988 0.00 0.00 +0.102 A ATOM 34 CL LIG 1 -5.092 5.608 0.747 0.00 0.00 -0.078 Cl ATOM 35 C LIG 1 -3.357 3.703 -0.025 0.00 0.00 +0.027 A ATOM 36 C LIG 1 -2.632 2.527 0.160 0.00 0.00 +0.025 A BRANCH 32 37 ATOM 37 O LIG 1 -5.130 3.846 3.151 0.00 0.00 -0.479 OA ATOM 38 C LIG 1 -5.103 3.036 4.319 0.00 0.00 +0.279 C ENDBRANCH 32 37 ENDBRANCH 29 30 ENDBRANCH 10 29 TORSDOF 7