REMARK Name = BDB058991 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.317 -0.189 -0.760 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -0.755 -1.486 -0.464 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -1.942 -1.691 0.256 0.00 0.00 -0.017 A ATOM 4 C LIG 1 -2.688 -0.574 0.666 0.00 0.00 +0.014 A ATOM 5 C LIG 1 -2.268 0.732 0.367 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -1.078 0.912 -0.354 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -2.404 -3.052 0.561 0.00 0.00 -0.015 A ATOM 8 C LIG 1 -2.149 -3.672 1.806 0.00 0.00 -0.040 A ATOM 9 C LIG 1 -1.389 -2.968 2.899 0.00 0.00 +0.044 C ATOM 10 C LIG 1 -2.626 -4.973 2.038 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -3.334 -5.647 1.050 0.00 0.00 +0.124 A ATOM 12 F LIG 1 -3.779 -6.888 1.287 0.00 0.00 -0.205 F ATOM 13 C LIG 1 -3.585 -5.055 -0.179 0.00 0.00 +0.039 A ATOM 14 C LIG 1 -3.122 -3.762 -0.421 0.00 0.00 +0.011 A ENDBRANCH 3 7 BRANCH 1 17 ATOM 15 N LIG 1 1.945 -0.871 -1.332 0.00 0.00 -0.307 N ATOM 16 H LIG 1 1.875 -1.507 -0.551 0.00 0.00 +0.149 HD ATOM 17 C LIG 1 0.938 0.052 -1.523 0.00 0.00 +0.244 C ATOM 18 O LIG 1 1.044 1.037 -2.243 0.00 0.00 -0.270 OA BRANCH 15 19 ATOM 19 C LIG 1 3.271 -0.658 -1.871 0.00 0.00 +0.139 C BRANCH 19 23 ATOM 20 C LIG 1 6.955 -1.499 1.475 0.00 0.00 +0.044 C ATOM 21 C LIG 1 5.960 -0.572 0.842 0.00 0.00 -0.050 A ATOM 22 C LIG 1 5.107 -1.031 -0.170 0.00 0.00 +0.008 A ATOM 23 C LIG 1 4.206 -0.160 -0.799 0.00 0.00 -0.030 A ATOM 24 C LIG 1 4.162 1.183 -0.397 0.00 0.00 +0.008 A ATOM 25 C LIG 1 5.006 1.658 0.614 0.00 0.00 -0.050 A ATOM 26 C LIG 1 4.976 3.106 1.004 0.00 0.00 +0.044 C ATOM 27 C LIG 1 5.915 0.778 1.214 0.00 0.00 +0.006 A ENDBRANCH 19 23 ENDBRANCH 15 19 ENDBRANCH 1 17 BRANCH 5 28 ATOM 28 C LIG 1 -3.088 1.928 0.803 0.00 0.00 +0.159 C BRANCH 28 29 ATOM 29 N LIG 1 -3.707 2.583 -0.329 0.00 0.00 -0.313 N ATOM 30 C LIG 1 -3.217 3.762 -0.895 0.00 0.00 +0.204 A ATOM 31 N LIG 1 -2.225 4.460 -0.473 0.00 0.00 -0.268 NA ATOM 32 H LIG 1 -2.095 5.261 -1.092 0.00 0.00 +0.190 HD ATOM 33 N LIG 1 -4.043 3.981 -2.004 0.00 0.00 -0.320 N ATOM 34 C LIG 1 -3.828 5.000 -3.001 0.00 0.00 +0.152 C ATOM 35 C LIG 1 -4.959 2.941 -2.112 0.00 0.00 +0.106 A ATOM 36 C LIG 1 -4.760 2.096 -1.091 0.00 0.00 +0.107 A ENDBRANCH 28 29 ENDBRANCH 5 28 TORSDOF 6