REMARK Name = BDB024653 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.595 -0.804 0.054 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.356 -1.434 0.269 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.307 -2.872 0.632 0.00 0.00 +0.082 C ATOM 4 C LIG 1 4.838 -3.106 2.059 0.00 0.00 +0.028 C ATOM 5 C LIG 1 2.913 -3.516 0.556 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.149 -2.997 -0.640 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.012 -1.512 -0.474 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.812 -0.840 -0.788 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.368 -1.364 -1.244 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.203 -0.352 -1.360 0.00 0.00 +0.112 A ATOM 11 N LIG 1 -0.578 0.840 -1.034 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.716 0.540 -0.650 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.797 1.305 -0.206 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.989 0.632 0.096 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.121 -0.758 -0.032 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.769 0.361 -0.287 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.182 2.169 -1.091 0.00 0.00 +0.089 C ATOM 18 C LIG 1 -0.500 3.091 -2.113 0.00 0.00 +0.027 C ATOM 19 C LIG 1 -1.198 4.447 -2.180 0.00 0.00 +0.033 C ATOM 20 C LIG 1 -1.292 5.119 -0.805 0.00 0.00 +0.118 C ATOM 21 C LIG 1 -1.984 4.192 0.202 0.00 0.00 +0.033 C ATOM 22 C LIG 1 -1.300 2.830 0.291 0.00 0.00 +0.027 C BRANCH 20 23 ATOM 23 O LIG 1 -2.039 6.324 -0.984 0.00 0.00 -0.380 OA ATOM 24 C LIG 1 -1.866 7.263 0.069 0.00 0.00 +0.194 C ENDBRANCH 20 23 ENDBRANCH 11 17 BRANCH 1 26 ATOM 25 C LIG 1 7.931 -1.078 -0.008 0.00 0.00 +0.282 C ATOM 26 O LIG 1 6.648 -1.660 0.226 0.00 0.00 -0.453 OA ENDBRANCH 1 26 BRANCH 10 27 ATOM 27 C LIG 1 -2.625 -0.505 -1.810 0.00 0.00 +0.093 C BRANCH 27 28 ATOM 28 C LIG 1 -3.642 -0.427 -0.656 0.00 0.00 +0.135 C BRANCH 28 29 ATOM 29 C LIG 1 -3.608 -1.501 0.423 0.00 0.00 -0.033 A ATOM 30 C LIG 1 -3.024 -2.762 0.233 0.00 0.00 +0.007 A ATOM 31 C LIG 1 -3.026 -3.726 1.252 0.00 0.00 -0.050 A ATOM 32 C LIG 1 -2.344 -5.046 1.038 0.00 0.00 +0.044 C ATOM 33 C LIG 1 -3.611 -3.420 2.484 0.00 0.00 +0.003 A ATOM 34 C LIG 1 -4.207 -2.178 2.687 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -4.208 -1.228 1.665 0.00 0.00 +0.004 A ENDBRANCH 28 29 BRANCH 28 36 ATOM 36 C LIG 1 -5.027 -0.315 -1.261 0.00 0.00 +0.313 C ATOM 37 O LIG 1 -5.801 0.615 -1.087 0.00 0.00 -0.250 OA BRANCH 36 38 ATOM 38 O LIG 1 -5.378 -1.354 -2.042 0.00 0.00 -0.480 OA ATOM 39 H LIG 1 -6.304 -1.166 -2.302 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 28 36 ENDBRANCH 27 28 ENDBRANCH 10 27 TORSDOF 8