REMARK Name = BDB059450 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -6.219 -0.139 -0.463 0.00 0.00 +0.162 A ATOM 2 C LIG 1 -5.689 -0.624 0.742 0.00 0.00 +0.162 A ATOM 3 C LIG 1 -4.301 -0.587 0.957 0.00 0.00 +0.059 A ATOM 4 C LIG 1 -3.410 -0.064 0.007 0.00 0.00 +0.005 A ATOM 5 C LIG 1 -1.963 -0.036 0.279 0.00 0.00 +0.050 A ATOM 6 N LIG 1 -1.122 -0.516 -0.680 0.00 0.00 -0.346 N ATOM 7 C LIG 1 -1.647 -1.149 -1.919 0.00 0.00 +0.122 C ATOM 8 C LIG 1 -2.154 -0.091 -2.893 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -3.040 0.988 -2.267 0.00 0.00 +0.037 C ATOM 10 C LIG 1 0.221 -0.468 -0.506 0.00 0.00 +0.098 A ATOM 11 C LIG 1 0.804 0.064 0.651 0.00 0.00 +0.044 A ATOM 12 C LIG 1 -0.048 0.563 1.648 0.00 0.00 -0.011 A ATOM 13 C LIG 1 0.503 1.121 2.809 0.00 0.00 +0.012 A ATOM 14 C LIG 1 1.889 1.208 2.974 0.00 0.00 +0.050 A ATOM 15 C LIG 1 2.753 0.727 1.989 0.00 0.00 +0.162 A ATOM 16 C LIG 1 2.205 0.116 0.846 0.00 0.00 +0.171 A ATOM 17 C LIG 1 -1.429 0.504 1.456 0.00 0.00 +0.035 A ATOM 18 C LIG 1 -3.950 0.429 -1.199 0.00 0.00 -0.035 A ATOM 19 C LIG 1 -5.339 0.385 -1.421 0.00 0.00 +0.053 A ENDROOT BRANCH 1 21 ATOM 20 C LIG 1 -8.139 0.391 -1.803 0.00 0.00 +0.277 C ATOM 21 O LIG 1 -7.567 -0.237 -0.661 0.00 0.00 -0.491 OA ENDBRANCH 1 21 BRANCH 2 22 ATOM 22 O LIG 1 -6.352 -1.188 1.800 0.00 0.00 -0.491 OA ATOM 23 C LIG 1 -7.756 -0.991 1.906 0.00 0.00 +0.277 C ENDBRANCH 2 22 BRANCH 15 24 ATOM 24 O LIG 1 4.115 0.821 2.050 0.00 0.00 -0.491 OA ATOM 25 C LIG 1 4.687 1.608 3.088 0.00 0.00 +0.277 C ENDBRANCH 15 24 BRANCH 16 26 ATOM 26 O LIG 1 2.979 -0.371 -0.185 0.00 0.00 -0.483 OA BRANCH 26 27 ATOM 27 C LIG 1 3.961 -1.348 0.206 0.00 0.00 +0.264 C BRANCH 27 28 ATOM 28 C LIG 1 5.341 -0.942 -0.261 0.00 0.00 -0.010 A ATOM 29 C LIG 1 5.538 -0.366 -1.526 0.00 0.00 +0.009 A ATOM 30 C LIG 1 6.819 -0.013 -1.958 0.00 0.00 +0.033 A ATOM 31 C LIG 1 7.918 -0.246 -1.122 0.00 0.00 +0.126 A ATOM 32 C LIG 1 7.742 -0.833 0.137 0.00 0.00 +0.033 A ATOM 33 C LIG 1 6.456 -1.182 0.560 0.00 0.00 +0.009 A BRANCH 31 34 ATOM 34 N LIG 1 9.265 0.127 -1.570 0.00 0.00 +0.056 N ATOM 35 O LIG 1 9.377 0.624 -2.700 0.00 0.00 -0.126 OA ATOM 36 O LIG 1 10.208 -0.078 -0.793 0.00 0.00 -0.126 OA ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 16 26 TORSDOF 7