REMARK Name = BDB047853 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.135 0.883 0.628 0.00 0.00 -0.044 A ATOM 2 C LIG 1 4.659 -0.436 0.552 0.00 0.00 +0.013 A ATOM 3 C LIG 1 3.389 -0.698 -0.001 0.00 0.00 +0.000 A ATOM 4 C LIG 1 2.648 -1.890 -0.222 0.00 0.00 +0.027 A ATOM 5 C LIG 1 1.455 -1.539 -0.807 0.00 0.00 +0.087 A ATOM 6 N LIG 1 1.431 -0.170 -0.934 0.00 0.00 -0.341 N ATOM 7 C LIG 1 2.615 0.369 -0.465 0.00 0.00 +0.049 A ATOM 8 C LIG 1 3.075 1.695 -0.398 0.00 0.00 +0.026 A ATOM 9 C LIG 1 4.341 1.930 0.150 0.00 0.00 +0.006 A ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 6.510 1.163 1.198 0.00 0.00 +0.078 C BRANCH 10 11 ATOM 11 C LIG 1 7.629 0.845 0.195 0.00 0.00 +0.230 C BRANCH 11 12 ATOM 12 C LIG 1 8.840 1.702 0.574 0.00 0.00 +0.334 C ATOM 13 O LIG 1 8.950 2.903 0.374 0.00 0.00 -0.248 OA BRANCH 12 14 ATOM 14 O LIG 1 9.826 1.033 1.205 0.00 0.00 -0.479 OA ATOM 15 H LIG 1 10.504 1.713 1.396 0.00 0.00 +0.295 HD ENDBRANCH 12 14 ENDBRANCH 11 12 BRANCH 11 16 ATOM 16 O LIG 1 7.866 -0.566 0.213 0.00 0.00 -0.365 OA BRANCH 16 18 ATOM 17 C LIG 1 8.774 -2.519 -0.807 0.00 0.00 +0.034 C ATOM 18 C LIG 1 8.557 -1.025 -0.946 0.00 0.00 +0.157 C ENDBRANCH 16 18 ENDBRANCH 11 16 ENDBRANCH 10 11 ENDBRANCH 1 10 BRANCH 6 19 ATOM 19 C LIG 1 0.322 0.573 -1.522 0.00 0.00 +0.180 C BRANCH 19 20 ATOM 20 C LIG 1 -0.875 0.579 -0.639 0.00 0.00 +0.102 A ATOM 21 C LIG 1 -1.001 0.892 0.700 0.00 0.00 +0.127 A ATOM 22 C LIG 1 -0.074 1.306 1.769 0.00 0.00 +0.088 C ATOM 23 O LIG 1 -2.317 0.755 1.042 0.00 0.00 -0.440 OA ATOM 24 C LIG 1 -2.937 0.368 -0.117 0.00 0.00 +0.228 A ATOM 25 N LIG 1 -2.120 0.261 -1.148 0.00 0.00 -0.212 NA BRANCH 24 26 ATOM 26 C LIG 1 -4.378 0.144 -0.053 0.00 0.00 +0.037 A ATOM 27 C LIG 1 -5.079 -0.212 -1.211 0.00 0.00 +0.013 A ATOM 28 C LIG 1 -6.462 -0.434 -1.183 0.00 0.00 +0.005 A ATOM 29 C LIG 1 -7.197 -0.309 0.006 0.00 0.00 -0.042 A ATOM 30 C LIG 1 -6.483 0.048 1.166 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -5.100 0.272 1.138 0.00 0.00 +0.013 A BRANCH 29 32 ATOM 32 C LIG 1 -8.715 -0.547 0.076 0.00 0.00 -0.013 C ATOM 33 C LIG 1 -9.013 -1.706 1.052 0.00 0.00 +0.015 C ATOM 34 C LIG 1 -9.352 -0.918 -1.283 0.00 0.00 +0.015 C ATOM 35 C LIG 1 -9.420 0.732 0.576 0.00 0.00 +0.015 C ENDBRANCH 29 32 ENDBRANCH 24 26 ENDBRANCH 19 20 ENDBRANCH 6 19 TORSDOF 10