REMARK Name = BDB010291 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.587 2.308 -0.103 0.00 0.00 +0.052 A ATOM 2 C LIG 1 0.288 1.502 0.931 0.00 0.00 +0.043 A ATOM 3 C LIG 1 1.390 0.631 1.442 0.00 0.00 +0.265 A ATOM 4 O LIG 1 1.283 0.194 2.588 0.00 0.00 -0.267 OA ATOM 5 N LIG 1 2.451 0.438 0.577 0.00 0.00 -0.232 N ATOM 6 C LIG 1 2.684 1.419 -0.367 0.00 0.00 +0.123 A ATOM 7 N LIG 1 1.821 2.329 -0.695 0.00 0.00 -0.237 NA ENDROOT BRANCH 5 8 ATOM 8 C LIG 1 3.283 -0.707 0.748 0.00 0.00 +0.239 A ATOM 9 N LIG 1 4.293 -0.934 -0.112 0.00 0.00 -0.216 NA ATOM 10 C LIG 1 5.024 -2.068 0.027 0.00 0.00 +0.161 A ATOM 11 C LIG 1 4.799 -3.016 0.992 0.00 0.00 +0.157 A ATOM 12 C LIG 1 3.744 -2.715 1.816 0.00 0.00 +0.161 A ATOM 13 N LIG 1 2.982 -1.605 1.702 0.00 0.00 -0.216 NA BRANCH 11 14 ATOM 14 O LIG 1 5.466 -4.172 1.225 0.00 0.00 -0.489 OA BRANCH 14 15 ATOM 15 C LIG 1 6.576 -4.506 0.392 0.00 0.00 +0.226 C ATOM 16 C LIG 1 6.113 -5.240 -0.856 0.00 0.00 +0.048 C ENDBRANCH 14 15 ENDBRANCH 11 14 ENDBRANCH 5 8 BRANCH 6 17 ATOM 17 C LIG 1 3.986 1.545 -1.082 0.00 0.00 +0.056 C ATOM 18 C LIG 1 5.230 1.975 -0.330 0.00 0.00 +0.012 C ATOM 19 C LIG 1 4.602 2.913 -1.312 0.00 0.00 +0.012 C ENDBRANCH 6 17 BRANCH 1 20 ATOM 20 C LIG 1 -0.400 3.264 -0.744 0.00 0.00 +0.056 C BRANCH 20 21 ATOM 21 C LIG 1 -0.211 4.696 -0.239 0.00 0.00 +0.006 C BRANCH 21 22 ATOM 22 C LIG 1 -1.268 5.669 -0.773 0.00 0.00 +0.000 C BRANCH 22 24 ATOM 23 C LIG 1 -0.033 6.292 -2.920 0.00 0.00 +0.004 C ATOM 24 C LIG 1 -1.333 5.808 -2.298 0.00 0.00 -0.003 C ENDBRANCH 22 24 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 1 20 BRANCH 2 25 ATOM 25 C LIG 1 -1.019 1.433 1.679 0.00 0.00 +0.079 C BRANCH 25 26 ATOM 26 C LIG 1 -1.849 0.225 1.320 0.00 0.00 -0.025 A ATOM 27 C LIG 1 -2.798 0.270 0.303 0.00 0.00 +0.115 A ATOM 28 N LIG 1 -3.578 -0.777 -0.065 0.00 0.00 -0.255 NA ATOM 29 C LIG 1 -3.382 -1.954 0.586 0.00 0.00 +0.072 A ATOM 30 C LIG 1 -2.453 -2.095 1.613 0.00 0.00 +0.028 A ATOM 31 C LIG 1 -1.685 -0.994 1.983 0.00 0.00 +0.007 A BRANCH 29 32 ATOM 32 C LIG 1 -4.214 -3.078 0.143 0.00 0.00 +0.011 A ATOM 33 C LIG 1 -5.594 -3.188 0.424 0.00 0.00 +0.030 A ATOM 34 C LIG 1 -6.303 -4.341 0.042 0.00 0.00 +0.012 A ATOM 35 C LIG 1 -5.667 -5.374 -0.645 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -4.315 -5.267 -0.952 0.00 0.00 +0.001 A ATOM 37 C LIG 1 -3.597 -4.136 -0.558 0.00 0.00 +0.011 A BRANCH 33 38 ATOM 38 C LIG 1 -6.370 -2.156 1.135 0.00 0.00 +0.183 A ATOM 39 N LIG 1 -6.128 -0.855 0.953 0.00 0.00 -0.271 N ATOM 40 H LIG 1 -5.406 -0.437 0.380 0.00 0.00 +0.174 HD ATOM 41 C LIG 1 -6.995 -0.182 1.720 0.00 0.00 +0.440 A ATOM 42 O LIG 1 -7.077 1.032 1.830 0.00 0.00 -0.221 OA ATOM 43 O LIG 1 -7.796 -1.093 2.367 0.00 0.00 -0.295 OA ATOM 44 N LIG 1 -7.356 -2.388 1.941 0.00 0.00 -0.054 NA ENDBRANCH 33 38 ENDBRANCH 29 32 ENDBRANCH 25 26 ENDBRANCH 2 25 TORSDOF 12