REMARK Name = BDB039200 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.030 2.447 -0.162 0.00 0.00 +0.403 C ATOM 2 N LIG 1 5.293 1.285 -0.310 0.00 0.00 -0.263 N ATOM 3 C LIG 1 3.857 1.378 -0.074 0.00 0.00 +0.148 C ATOM 4 C LIG 1 3.137 0.055 -0.010 0.00 0.00 +0.001 A ATOM 5 C LIG 1 3.807 -1.170 -0.226 0.00 0.00 -0.039 A ATOM 6 C LIG 1 3.115 -2.385 -0.143 0.00 0.00 +0.006 A ATOM 7 C LIG 1 1.742 -2.429 0.120 0.00 0.00 +0.028 A ATOM 8 C LIG 1 1.080 -1.210 0.310 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -0.236 -0.865 0.567 0.00 0.00 -0.324 N ATOM 10 C LIG 1 -0.287 0.512 0.715 0.00 0.00 +0.114 A ATOM 11 N LIG 1 0.896 1.046 0.487 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 5.293 -1.171 -0.482 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.753 0.005 0.255 0.00 0.00 +0.094 A ATOM 14 C LIG 1 5.762 0.148 -1.091 0.00 0.00 +0.116 C ATOM 15 O LIG 1 5.578 3.492 0.291 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -1.521 1.313 1.057 0.00 0.00 +0.055 C ATOM 17 C LIG 1 -2.267 1.695 -0.235 0.00 0.00 +0.012 C ATOM 18 C LIG 1 -3.008 3.019 -0.096 0.00 0.00 +0.015 C ATOM 19 C LIG 1 -2.032 4.179 0.164 0.00 0.00 +0.098 C ATOM 20 C LIG 1 -0.864 3.786 1.082 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -1.170 2.545 1.919 0.00 0.00 +0.012 C BRANCH 19 22 ATOM 22 C LIG 1 -2.764 5.391 0.723 0.00 0.00 +0.308 C ATOM 23 O LIG 1 -3.873 5.370 1.233 0.00 0.00 -0.251 OA BRANCH 22 24 ATOM 24 O LIG 1 -2.053 6.537 0.599 0.00 0.00 -0.480 OA ATOM 25 H LIG 1 -1.175 6.415 0.189 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 19 22 ENDBRANCH 10 16 BRANCH 1 27 ATOM 26 C LIG 1 8.114 3.482 -0.427 0.00 0.00 +0.282 C ATOM 27 O LIG 1 7.320 2.305 -0.575 0.00 0.00 -0.454 OA ENDBRANCH 1 27 BRANCH 9 28 ATOM 28 C LIG 1 -1.376 -1.784 0.639 0.00 0.00 +0.090 C ATOM 29 C LIG 1 -1.277 -2.699 1.864 0.00 0.00 +0.031 C BRANCH 28 30 ATOM 30 C LIG 1 -1.581 -2.546 -0.688 0.00 0.00 +0.060 C BRANCH 30 31 ATOM 31 C LIG 1 -2.948 -3.180 -0.807 0.00 0.00 -0.043 A ATOM 32 C LIG 1 -4.058 -2.410 -1.173 0.00 0.00 +0.042 A ATOM 33 C LIG 1 -5.317 -2.999 -1.267 0.00 0.00 +0.127 A ATOM 34 F LIG 1 -6.359 -2.237 -1.629 0.00 0.00 -0.205 F ATOM 35 C LIG 1 -5.508 -4.354 -0.993 0.00 0.00 -0.015 A ATOM 36 C LIG 1 -6.867 -4.969 -1.130 0.00 0.00 +0.047 C ATOM 37 C LIG 1 -4.397 -5.128 -0.641 0.00 0.00 +0.006 A ATOM 38 C LIG 1 -3.129 -4.545 -0.544 0.00 0.00 +0.004 A ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 9 28 TORSDOF 7