REMARK Name = BDB046475 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.081 -1.935 4.459 0.00 0.00 +0.155 C ATOM 2 N LIG 1 -1.293 -0.732 3.693 0.00 0.00 -0.282 N ATOM 3 C LIG 1 -2.444 0.019 3.722 0.00 0.00 +0.347 A ATOM 4 O LIG 1 -3.455 -0.200 4.370 0.00 0.00 -0.245 OA ATOM 5 N LIG 1 -2.208 1.079 2.848 0.00 0.00 -0.209 N ATOM 6 N LIG 1 -0.963 0.957 2.271 0.00 0.00 -0.153 NA ATOM 7 C LIG 1 -0.474 -0.119 2.816 0.00 0.00 +0.134 A ENDROOT BRANCH 5 8 ATOM 8 C LIG 1 -3.179 2.061 2.434 0.00 0.00 +0.184 C BRANCH 8 9 ATOM 9 C LIG 1 -3.965 1.608 1.228 0.00 0.00 -0.026 A ATOM 10 C LIG 1 -3.490 1.848 -0.064 0.00 0.00 +0.006 A ATOM 11 C LIG 1 -4.208 1.413 -1.184 0.00 0.00 +0.004 A ATOM 12 C LIG 1 -5.420 0.718 -1.050 0.00 0.00 -0.042 A ATOM 13 C LIG 1 -5.878 0.470 0.258 0.00 0.00 +0.004 A ATOM 14 C LIG 1 -5.162 0.903 1.379 0.00 0.00 +0.006 A BRANCH 12 15 ATOM 15 C LIG 1 -6.234 0.225 -2.259 0.00 0.00 -0.013 C ATOM 16 C LIG 1 -7.644 0.855 -2.228 0.00 0.00 +0.015 C ATOM 17 C LIG 1 -6.364 -1.313 -2.205 0.00 0.00 +0.015 C ATOM 18 C LIG 1 -5.606 0.584 -3.624 0.00 0.00 +0.015 C ENDBRANCH 12 15 ENDBRANCH 8 9 ENDBRANCH 5 8 BRANCH 7 19 ATOM 19 C LIG 1 0.878 -0.665 2.461 0.00 0.00 +0.077 C BRANCH 19 20 ATOM 20 C LIG 1 0.759 -1.627 1.278 0.00 0.00 +0.012 C BRANCH 20 21 ATOM 21 C LIG 1 2.083 -2.315 0.930 0.00 0.00 +0.035 C BRANCH 21 22 ATOM 22 C LIG 1 3.154 -1.369 0.443 0.00 0.00 -0.047 A ATOM 23 C LIG 1 4.283 -1.107 1.231 0.00 0.00 +0.007 A ATOM 24 C LIG 1 5.269 -0.226 0.783 0.00 0.00 +0.046 A ATOM 25 C LIG 1 5.147 0.374 -0.467 0.00 0.00 +0.122 A ATOM 26 C LIG 1 4.012 0.156 -1.242 0.00 0.00 +0.046 A ATOM 27 C LIG 1 3.026 -0.726 -0.796 0.00 0.00 +0.007 A BRANCH 25 28 ATOM 28 O LIG 1 6.080 1.285 -0.873 0.00 0.00 -0.475 OA BRANCH 28 29 ATOM 29 C LIG 1 7.181 0.767 -1.666 0.00 0.00 +0.200 C ATOM 30 C LIG 1 8.046 -0.236 -0.895 0.00 0.00 +0.067 C ATOM 31 C LIG 1 6.725 0.211 -3.018 0.00 0.00 +0.067 C BRANCH 29 32 ATOM 32 C LIG 1 8.063 1.999 -1.956 0.00 0.00 +0.348 C ATOM 33 O LIG 1 9.106 1.975 -2.596 0.00 0.00 -0.247 OA BRANCH 32 34 ATOM 34 O LIG 1 7.573 3.151 -1.429 0.00 0.00 -0.478 OA ATOM 35 H LIG 1 6.733 2.957 -0.955 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 29 32 ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 7 19 TORSDOF 11