REMARK Name = BDB030367 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.064 1.112 1.988 0.00 0.00 -0.004 A ATOM 2 C LIG 1 0.275 0.002 2.801 0.00 0.00 +0.164 A ATOM 3 F LIG 1 1.337 -0.034 3.620 0.00 0.00 -0.202 F ATOM 4 C LIG 1 -0.613 -1.072 2.789 0.00 0.00 +0.180 A ATOM 5 F LIG 1 -0.378 -2.111 3.609 0.00 0.00 -0.200 F ATOM 6 C LIG 1 -1.747 -1.106 1.951 0.00 0.00 +0.082 A ATOM 7 C LIG 1 -1.946 0.008 1.112 0.00 0.00 +0.061 A ATOM 8 C LIG 1 -1.067 1.114 1.161 0.00 0.00 +0.021 A ENDROOT BRANCH 7 9 ATOM 9 C LIG 1 -3.151 0.170 0.270 0.00 0.00 +0.246 C ATOM 10 N LIG 1 -3.011 0.405 -1.083 0.00 0.00 -0.308 N ATOM 11 H LIG 1 -3.906 0.511 -1.552 0.00 0.00 +0.149 HD ATOM 12 O LIG 1 -4.266 0.128 0.782 0.00 0.00 -0.270 OA BRANCH 10 13 ATOM 13 C LIG 1 -1.829 0.649 -1.843 0.00 0.00 +0.073 C ATOM 14 C LIG 1 -1.606 -0.120 -3.119 0.00 0.00 +0.024 C ATOM 15 C LIG 1 -0.677 -0.311 -1.958 0.00 0.00 +0.024 C ENDBRANCH 10 13 ENDBRANCH 7 9 BRANCH 6 16 ATOM 16 N LIG 1 -2.535 -2.279 2.014 0.00 0.00 -0.309 N ATOM 17 H LIG 1 -2.633 -2.622 2.970 0.00 0.00 +0.152 HD BRANCH 16 18 ATOM 18 C LIG 1 -3.461 -2.881 1.145 0.00 0.00 +0.067 A ATOM 19 C LIG 1 -4.628 -3.459 1.671 0.00 0.00 +0.145 A ATOM 20 F LIG 1 -4.819 -3.457 3.000 0.00 0.00 -0.204 F ATOM 21 C LIG 1 -5.599 -4.038 0.860 0.00 0.00 +0.054 A ATOM 22 C LIG 1 -5.408 -4.046 -0.518 0.00 0.00 +0.016 A ATOM 23 I LIG 1 -6.841 -4.897 -1.756 0.00 0.00 -0.044 I ATOM 24 C LIG 1 -4.253 -3.493 -1.072 0.00 0.00 +0.016 A ATOM 25 C LIG 1 -3.287 -2.915 -0.240 0.00 0.00 +0.027 A ENDBRANCH 16 18 ENDBRANCH 6 16 BRANCH 1 26 ATOM 26 C LIG 1 1.035 2.266 1.981 0.00 0.00 +0.076 C BRANCH 26 30 ATOM 27 C LIG 1 3.988 1.464 -0.254 0.00 0.00 +0.173 A ATOM 28 C LIG 1 3.165 1.509 0.867 0.00 0.00 +0.168 A ATOM 29 F LIG 1 3.514 0.860 1.987 0.00 0.00 -0.202 F ATOM 30 C LIG 1 1.974 2.229 0.804 0.00 0.00 -0.003 A ATOM 31 C LIG 1 1.670 2.883 -0.397 0.00 0.00 +0.026 A ATOM 32 C LIG 1 2.557 2.779 -1.463 0.00 0.00 +0.113 A ATOM 33 N LIG 1 3.710 2.077 -1.421 0.00 0.00 -0.236 NA BRANCH 27 34 ATOM 34 N LIG 1 5.229 0.783 -0.213 0.00 0.00 -0.202 N ATOM 35 H LIG 1 5.307 0.117 0.557 0.00 0.00 +0.175 HD BRANCH 34 37 ATOM 36 C LIG 1 6.923 1.995 -1.928 0.00 0.00 +0.218 C ATOM 37 S LIG 1 6.572 1.794 -0.192 0.00 0.00 +0.041 S ATOM 38 O LIG 1 7.638 0.995 0.377 0.00 0.00 -0.155 OA ATOM 39 O LIG 1 6.220 3.070 0.392 0.00 0.00 -0.155 OA ENDBRANCH 34 37 ENDBRANCH 27 34 ENDBRANCH 26 30 ENDBRANCH 1 26 TORSDOF 8