REMARK Name = BDB010765 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.738 0.233 1.022 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.509 0.865 1.218 0.00 0.00 +0.128 A ATOM 3 C LIG 1 -0.294 1.603 2.373 0.00 0.00 +0.184 A ATOM 4 N LIG 1 0.924 2.209 2.371 0.00 0.00 -0.212 NA ATOM 5 C LIG 1 1.475 1.873 1.224 0.00 0.00 +0.123 A ATOM 6 N LIG 1 -1.183 1.734 3.369 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 -2.323 1.081 3.112 0.00 0.00 +0.203 A ATOM 8 N LIG 1 0.675 0.995 0.522 0.00 0.00 -0.323 N ATOM 9 N LIG 1 -2.638 0.363 2.018 0.00 0.00 -0.208 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 -3.351 1.172 4.172 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -3.094 1.898 5.273 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -2.253 2.413 5.478 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -4.175 1.811 6.059 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -4.315 2.341 7.149 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -5.106 1.021 5.431 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -4.521 0.618 4.186 0.00 0.00 -0.051 NA ENDBRANCH 7 10 BRANCH 5 17 ATOM 17 C LIG 1 2.861 2.496 0.764 0.00 0.00 +0.054 C ATOM 18 C LIG 1 4.122 1.699 1.031 0.00 0.00 +0.020 C ATOM 19 C LIG 1 3.820 2.889 1.883 0.00 0.00 +0.020 C BRANCH 17 20 ATOM 20 C LIG 1 2.755 3.467 -0.404 0.00 0.00 -0.034 A ATOM 21 C LIG 1 3.345 3.212 -1.655 0.00 0.00 +0.004 A ATOM 22 C LIG 1 3.227 4.114 -2.717 0.00 0.00 +0.000 A ATOM 23 C LIG 1 2.513 5.296 -2.551 0.00 0.00 +0.000 A ATOM 24 C LIG 1 1.921 5.578 -1.324 0.00 0.00 +0.000 A ATOM 25 C LIG 1 2.043 4.673 -0.267 0.00 0.00 +0.004 A ENDBRANCH 17 20 ENDBRANCH 5 17 BRANCH 1 26 ATOM 26 N LIG 1 -2.083 -0.464 -0.123 0.00 0.00 -0.324 N ATOM 27 H LIG 1 -1.327 -0.786 -0.702 0.00 0.00 +0.148 HD BRANCH 26 29 ATOM 28 C LIG 1 -2.867 -2.677 0.577 0.00 0.00 +0.028 C ATOM 29 C LIG 1 -3.247 -1.352 -0.089 0.00 0.00 +0.072 C BRANCH 29 30 ATOM 30 C LIG 1 -3.697 -1.625 -1.528 0.00 0.00 +0.009 C ATOM 31 C LIG 1 -4.298 -0.417 -2.302 0.00 0.00 +0.005 C ATOM 32 C LIG 1 -5.268 -1.417 -2.962 0.00 0.00 +0.001 C ATOM 33 C LIG 1 -5.079 -2.310 -1.720 0.00 0.00 +0.005 C ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 1 26 BRANCH 8 34 ATOM 34 C LIG 1 1.007 0.372 -0.744 0.00 0.00 +0.127 C BRANCH 34 35 ATOM 35 C LIG 1 1.284 -1.143 -0.650 0.00 0.00 +0.009 C ATOM 36 C LIG 1 2.612 -1.444 0.059 0.00 0.00 +0.005 C ATOM 37 C LIG 1 2.918 -2.941 0.084 0.00 0.00 +0.003 C ATOM 38 C LIG 1 2.908 -3.548 -1.323 0.00 0.00 -0.014 C ATOM 39 C LIG 1 3.166 -5.053 -1.265 0.00 0.00 +0.007 C ATOM 40 C LIG 1 1.580 -3.254 -2.030 0.00 0.00 +0.003 C ATOM 41 C LIG 1 1.278 -1.757 -2.059 0.00 0.00 +0.005 C ENDBRANCH 34 35 ENDBRANCH 8 34 TORSDOF 8