REMARK Name = BDB047516 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.431 0.562 1.023 0.00 0.00 +0.121 A ATOM 2 C LIG 1 -1.574 0.713 1.815 0.00 0.00 +0.049 A ATOM 3 C LIG 1 -2.713 1.270 1.255 0.00 0.00 -0.040 A ATOM 4 C LIG 1 -4.038 1.489 1.910 0.00 0.00 +0.036 C ATOM 5 C LIG 1 -4.712 2.450 0.919 0.00 0.00 +0.014 C ATOM 6 C LIG 1 -4.090 2.202 -0.478 0.00 0.00 +0.038 C ATOM 7 C LIG 1 -2.737 1.659 -0.086 0.00 0.00 -0.040 A ATOM 8 C LIG 1 -1.612 1.519 -0.883 0.00 0.00 +0.008 A ATOM 9 C LIG 1 -0.454 0.969 -0.321 0.00 0.00 +0.046 A ENDROOT BRANCH 1 10 ATOM 10 O LIG 1 0.638 0.006 1.673 0.00 0.00 -0.492 OA BRANCH 10 11 ATOM 11 C LIG 1 1.829 -0.200 0.909 0.00 0.00 +0.235 C BRANCH 11 12 ATOM 12 C LIG 1 2.874 -0.832 1.824 0.00 0.00 +0.100 C BRANCH 12 15 ATOM 13 C LIG 1 4.349 -3.814 1.278 0.00 0.00 +0.088 C ATOM 14 C LIG 1 4.688 -2.433 0.893 0.00 0.00 +0.126 A ATOM 15 C LIG 1 4.114 -1.195 1.095 0.00 0.00 +0.086 A ATOM 16 N LIG 1 4.883 -0.230 0.484 0.00 0.00 -0.214 NA ATOM 17 C LIG 1 5.882 -0.901 -0.059 0.00 0.00 +0.228 A ATOM 18 O LIG 1 5.820 -2.254 0.150 0.00 0.00 -0.440 OA BRANCH 17 19 ATOM 19 C LIG 1 7.013 -0.403 -0.839 0.00 0.00 +0.037 A ATOM 20 C LIG 1 7.133 0.974 -1.082 0.00 0.00 +0.013 A ATOM 21 C LIG 1 8.203 1.480 -1.825 0.00 0.00 +0.001 A ATOM 22 C LIG 1 9.167 0.613 -2.335 0.00 0.00 +0.000 A ATOM 23 C LIG 1 9.063 -0.756 -2.103 0.00 0.00 +0.001 A ATOM 24 C LIG 1 7.993 -1.262 -1.359 0.00 0.00 +0.013 A ENDBRANCH 17 19 ENDBRANCH 12 15 ENDBRANCH 11 12 ENDBRANCH 10 11 ENDBRANCH 1 10 BRANCH 6 25 ATOM 25 C LIG 1 -4.878 1.271 -1.437 0.00 0.00 +0.135 C BRANCH 25 26 ATOM 26 C LIG 1 -5.412 -0.021 -0.831 0.00 0.00 -0.033 A ATOM 27 C LIG 1 -4.595 -1.164 -0.808 0.00 0.00 +0.004 A ATOM 28 C LIG 1 -5.048 -2.357 -0.244 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -6.324 -2.428 0.306 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -7.147 -1.305 0.295 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -6.695 -0.109 -0.267 0.00 0.00 +0.004 A ENDBRANCH 25 26 BRANCH 25 32 ATOM 32 C LIG 1 -5.935 2.035 -2.219 0.00 0.00 +0.313 C ATOM 33 O LIG 1 -6.311 1.778 -3.353 0.00 0.00 -0.250 OA BRANCH 32 34 ATOM 34 O LIG 1 -6.511 3.053 -1.550 0.00 0.00 -0.480 OA ATOM 35 H LIG 1 -7.171 3.404 -2.186 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 25 32 ENDBRANCH 6 25 TORSDOF 9