REMARK Name = BDB038994 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.182 0.750 1.372 0.00 0.00 +0.403 C ATOM 2 N LIG 1 5.278 0.011 0.629 0.00 0.00 -0.263 N ATOM 3 C LIG 1 3.925 0.541 0.504 0.00 0.00 +0.148 C ATOM 4 C LIG 1 2.918 -0.430 -0.059 0.00 0.00 +0.001 A ATOM 5 C LIG 1 3.291 -1.720 -0.499 0.00 0.00 -0.039 A ATOM 6 C LIG 1 2.331 -2.609 -1.001 0.00 0.00 +0.006 A ATOM 7 C LIG 1 0.985 -2.248 -1.110 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.626 -0.961 -0.693 0.00 0.00 +0.070 A ATOM 9 N LIG 1 -0.572 -0.273 -0.639 0.00 0.00 -0.320 N ATOM 10 C LIG 1 -0.309 1.002 -0.160 0.00 0.00 +0.142 A ATOM 11 N LIG 1 0.965 1.121 0.154 0.00 0.00 -0.227 NA ATOM 12 C LIG 1 4.726 -2.167 -0.371 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.560 -0.066 -0.180 0.00 0.00 +0.095 A ATOM 14 C LIG 1 5.688 -0.982 -0.355 0.00 0.00 +0.116 C ATOM 15 O LIG 1 5.879 1.729 2.044 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -1.292 2.070 0.024 0.00 0.00 +0.018 A ATOM 17 C LIG 1 -1.990 2.611 -1.063 0.00 0.00 +0.012 A ATOM 18 C LIG 1 -2.923 3.633 -0.866 0.00 0.00 +0.015 A ATOM 19 C LIG 1 -3.157 4.135 0.420 0.00 0.00 +0.059 A ATOM 20 C LIG 1 -2.446 3.613 1.506 0.00 0.00 +0.015 A ATOM 21 C LIG 1 -1.514 2.590 1.306 0.00 0.00 +0.012 A BRANCH 19 22 ATOM 22 C LIG 1 -4.155 5.220 0.580 0.00 0.00 +0.337 C ATOM 23 O LIG 1 -4.810 5.722 -0.315 0.00 0.00 -0.245 OA BRANCH 22 24 ATOM 24 O LIG 1 -4.290 5.622 1.856 0.00 0.00 -0.477 OA ATOM 25 H LIG 1 -4.962 6.335 1.809 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 19 22 ENDBRANCH 10 16 BRANCH 1 27 ATOM 26 C LIG 1 8.412 1.006 2.038 0.00 0.00 +0.282 C ATOM 27 O LIG 1 7.453 0.271 1.278 0.00 0.00 -0.454 OA ENDBRANCH 1 27 BRANCH 9 28 ATOM 28 C LIG 1 -1.901 -0.810 -0.952 0.00 0.00 +0.091 C ATOM 29 C LIG 1 -2.038 -1.147 -2.440 0.00 0.00 +0.031 C BRANCH 28 30 ATOM 30 C LIG 1 -2.274 -1.979 -0.017 0.00 0.00 +0.060 C BRANCH 30 31 ATOM 31 C LIG 1 -3.754 -2.286 -0.017 0.00 0.00 -0.045 A ATOM 32 C LIG 1 -4.253 -3.391 -0.719 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -5.623 -3.661 -0.730 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -6.504 -2.830 -0.040 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -6.018 -1.730 0.663 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -4.649 -1.458 0.675 0.00 0.00 +0.004 A ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 9 28 TORSDOF 7