REMARK Name = BDB064095 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.880 0.485 -0.675 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -0.778 1.494 -1.626 0.00 0.00 +0.135 A ATOM 3 F LIG 1 0.272 2.328 -1.634 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.761 1.642 -2.599 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -2.865 0.786 -2.605 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -3.005 -0.212 -1.625 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -1.994 -0.363 -0.663 0.00 0.00 +0.020 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 5.363 -0.494 -1.184 0.00 0.00 +0.183 A ATOM 9 N LIG 1 4.144 -0.339 -0.597 0.00 0.00 -0.307 N ATOM 10 C LIG 1 3.817 0.172 0.712 0.00 0.00 +0.144 C ATOM 11 C LIG 1 2.399 -0.230 1.108 0.00 0.00 +0.130 C ATOM 12 N LIG 1 1.444 -0.014 0.017 0.00 0.00 -0.288 N ATOM 13 C LIG 1 1.748 -0.682 -1.259 0.00 0.00 +0.184 C ATOM 14 C LIG 1 0.142 0.342 0.373 0.00 0.00 +0.250 C ATOM 15 O LIG 1 -0.218 0.529 1.533 0.00 0.00 -0.270 OA ATOM 16 C LIG 1 3.210 -0.730 -1.517 0.00 0.00 +0.151 A ATOM 17 N LIG 1 3.831 -1.150 -2.599 0.00 0.00 -0.132 NA ATOM 18 N LIG 1 5.185 -1.002 -2.389 0.00 0.00 -0.127 NA BRANCH 8 23 ATOM 19 C LIG 1 8.655 1.211 2.231 0.00 0.00 +0.073 C ATOM 20 C LIG 1 8.144 0.629 0.960 0.00 0.00 +0.076 A ATOM 21 S LIG 1 9.246 0.184 -0.283 0.00 0.00 -0.080 S ATOM 22 C LIG 1 7.928 -0.328 -1.250 0.00 0.00 +0.078 A ATOM 23 C LIG 1 6.747 -0.131 -0.568 0.00 0.00 +0.115 A ATOM 24 N LIG 1 6.871 0.417 0.697 0.00 0.00 -0.241 NA ENDBRANCH 8 23 ENDBRANCH 1 14 BRANCH 6 25 ATOM 25 C LIG 1 -4.203 -1.137 -1.658 0.00 0.00 +0.093 C BRANCH 25 26 ATOM 26 C LIG 1 -4.790 -1.445 -0.287 0.00 0.00 +0.074 A ATOM 27 C LIG 1 -5.614 -0.428 0.417 0.00 0.00 +0.011 A ATOM 28 C LIG 1 -6.115 -0.774 1.670 0.00 0.00 +0.050 A ATOM 29 C LIG 1 -6.900 0.128 2.400 0.00 0.00 +0.014 A ATOM 30 C LIG 1 -7.183 1.385 1.869 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -6.685 1.738 0.616 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -5.812 -2.104 2.224 0.00 0.00 +0.272 A ATOM 33 O LIG 1 -6.239 -2.455 3.317 0.00 0.00 -0.266 OA ATOM 34 N LIG 1 -5.032 -2.920 1.442 0.00 0.00 -0.242 N ATOM 35 H LIG 1 -4.812 -3.841 1.810 0.00 0.00 +0.192 HD ATOM 36 C LIG 1 -5.903 0.835 -0.112 0.00 0.00 +0.010 A ATOM 37 N LIG 1 -4.527 -2.615 0.217 0.00 0.00 -0.175 NA ENDBRANCH 25 26 ENDBRANCH 6 25 TORSDOF 4