REMARK Name = BDB065075 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.875 -0.882 0.237 0.00 0.00 +0.169 A ATOM 2 N LIG 1 -1.965 -0.776 -0.749 0.00 0.00 -0.209 NA ATOM 3 C LIG 1 -1.512 -1.923 -1.295 0.00 0.00 +0.148 A ATOM 4 C LIG 1 -1.973 -3.167 -0.895 0.00 0.00 +0.036 A ATOM 5 C LIG 1 -1.478 -4.389 -1.508 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -0.565 -4.300 -2.479 0.00 0.00 +0.071 A ATOM 7 C LIG 1 -0.040 -2.990 -2.943 0.00 0.00 +0.253 A ATOM 8 O LIG 1 0.796 -2.990 -3.844 0.00 0.00 -0.268 OA ATOM 9 C LIG 1 -2.920 -3.161 0.107 0.00 0.00 +0.124 A ATOM 10 N LIG 1 -0.537 -1.856 -2.326 0.00 0.00 -0.288 N ATOM 11 N LIG 1 -3.391 -2.040 0.684 0.00 0.00 -0.235 NA ENDROOT BRANCH 1 13 ATOM 12 C LIG 1 -3.127 0.682 2.154 0.00 0.00 +0.229 A ATOM 13 C LIG 1 -3.360 0.352 0.827 0.00 0.00 +0.102 A ATOM 14 C LIG 1 -4.082 1.295 0.094 0.00 0.00 +0.062 A ATOM 15 N LIG 1 -4.509 2.456 0.660 0.00 0.00 -0.239 NA ATOM 16 C LIG 1 -4.223 2.657 1.950 0.00 0.00 +0.225 A ATOM 17 N LIG 1 -3.544 1.824 2.739 0.00 0.00 -0.201 NA BRANCH 14 18 ATOM 18 C LIG 1 -4.424 1.090 -1.372 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -5.419 0.025 -1.778 0.00 0.00 +0.010 C ATOM 20 C LIG 1 -5.793 1.471 -1.892 0.00 0.00 +0.010 C ENDBRANCH 14 18 BRANCH 12 22 ATOM 21 C LIG 1 -2.273 0.159 4.284 0.00 0.00 +0.279 C ATOM 22 O LIG 1 -2.373 -0.200 2.910 0.00 0.00 -0.479 OA ENDBRANCH 12 22 ENDBRANCH 1 13 BRANCH 10 23 ATOM 23 C LIG 1 -0.007 -0.551 -2.708 0.00 0.00 +0.162 C BRANCH 23 24 ATOM 24 C LIG 1 1.123 -0.094 -1.810 0.00 0.00 -0.028 A ATOM 25 C LIG 1 2.415 -0.603 -1.974 0.00 0.00 +0.006 A ATOM 26 C LIG 1 3.454 -0.191 -1.131 0.00 0.00 +0.010 A ATOM 27 C LIG 1 3.241 0.733 -0.092 0.00 0.00 +0.000 A ATOM 28 C LIG 1 1.938 1.242 0.053 0.00 0.00 +0.010 A ATOM 29 C LIG 1 0.896 0.835 -0.789 0.00 0.00 +0.006 A BRANCH 27 30 ATOM 30 C LIG 1 4.352 1.143 0.793 0.00 0.00 +0.072 A ATOM 31 N LIG 1 5.591 1.121 0.235 0.00 0.00 -0.243 NA ATOM 32 C LIG 1 6.667 1.489 0.988 0.00 0.00 +0.144 A ATOM 33 C LIG 1 6.532 1.882 2.319 0.00 0.00 +0.032 A ATOM 34 C LIG 1 5.266 1.894 2.890 0.00 0.00 +0.004 A ATOM 35 C LIG 1 4.166 1.520 2.122 0.00 0.00 +0.028 A BRANCH 32 36 ATOM 36 C LIG 1 8.058 1.466 0.370 0.00 0.00 +0.434 C ATOM 37 F LIG 1 8.893 0.590 1.006 0.00 0.00 -0.164 F ATOM 38 F LIG 1 8.683 2.678 0.447 0.00 0.00 -0.164 F ATOM 39 F LIG 1 8.089 1.117 -0.947 0.00 0.00 -0.164 F ENDBRANCH 32 36 ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 10 23 TORSDOF 7