REMARK Name = BDB026952 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.690 -0.181 -0.177 0.00 0.00 +0.186 C ATOM 2 O LIG 1 0.776 -0.187 1.056 0.00 0.00 -0.290 OA ENDROOT BRANCH 1 7 ATOM 3 C LIG 1 -4.661 0.200 0.427 0.00 0.00 -0.013 A ATOM 4 C LIG 1 -4.233 0.384 -0.898 0.00 0.00 +0.034 A ATOM 5 C LIG 1 -2.858 0.311 -1.172 0.00 0.00 +0.048 A ATOM 6 C LIG 1 -1.901 0.059 -0.190 0.00 0.00 +0.010 A ATOM 7 C LIG 1 -0.611 0.048 -0.826 0.00 0.00 +0.044 A ATOM 8 C LIG 1 -0.839 0.314 -2.166 0.00 0.00 +0.095 A ATOM 9 C LIG 1 -2.348 -0.130 1.134 0.00 0.00 +0.011 A ATOM 10 N LIG 1 -2.188 0.457 -2.361 0.00 0.00 -0.360 N ATOM 11 H LIG 1 -2.633 0.646 -3.250 0.00 0.00 +0.165 HD ATOM 12 C LIG 1 -3.717 -0.057 1.427 0.00 0.00 +0.009 A BRANCH 3 17 ATOM 13 C LIG 1 -8.961 0.972 2.792 0.00 0.00 +0.172 C ATOM 14 N LIG 1 -7.970 0.625 1.802 0.00 0.00 -0.274 N ATOM 15 N LIG 1 -8.367 0.179 0.597 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 -7.216 -0.037 -0.047 0.00 0.00 +0.142 A ATOM 17 C LIG 1 -6.080 0.270 0.739 0.00 0.00 +0.020 A ATOM 18 C LIG 1 -6.614 0.701 1.936 0.00 0.00 +0.116 A ENDBRANCH 3 17 ENDBRANCH 1 7 BRANCH 1 19 ATOM 19 C LIG 1 1.969 -0.344 -1.059 0.00 0.00 +0.156 C BRANCH 19 20 ATOM 20 C LIG 1 1.897 -1.561 -1.969 0.00 0.00 -0.023 A ATOM 21 C LIG 1 1.617 -2.836 -1.450 0.00 0.00 +0.005 A ATOM 22 C LIG 1 1.554 -3.948 -2.291 0.00 0.00 +0.000 A ATOM 23 C LIG 1 1.781 -3.803 -3.658 0.00 0.00 +0.000 A ATOM 24 C LIG 1 2.078 -2.548 -4.185 0.00 0.00 +0.000 A ATOM 25 C LIG 1 2.142 -1.434 -3.346 0.00 0.00 +0.005 A ENDBRANCH 19 20 BRANCH 19 26 ATOM 26 N LIG 1 3.162 -0.435 -0.176 0.00 0.00 -0.303 NA ATOM 27 H LIG 1 2.975 0.127 0.659 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 4.387 0.028 -0.829 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C LIG 1 5.595 -0.036 0.121 0.00 0.00 +0.050 C BRANCH 29 30 ATOM 30 C LIG 1 5.542 0.991 1.230 0.00 0.00 -0.046 A ATOM 31 C LIG 1 5.047 0.642 2.496 0.00 0.00 +0.006 A ATOM 32 C LIG 1 4.981 1.594 3.514 0.00 0.00 +0.038 A ATOM 33 C LIG 1 5.411 2.892 3.267 0.00 0.00 +0.123 A ATOM 34 F LIG 1 5.348 3.806 4.245 0.00 0.00 -0.205 F ATOM 35 C LIG 1 5.903 3.257 2.020 0.00 0.00 +0.038 A ATOM 36 C LIG 1 5.968 2.308 1.000 0.00 0.00 +0.006 A ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 19 26 ENDBRANCH 1 19 TORSDOF 8