REMARK Name = BDB029298 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.136 1.314 -1.350 0.00 0.00 -0.032 A ATOM 2 C LIG 1 -3.175 2.663 -0.912 0.00 0.00 +0.017 A ATOM 3 C LIG 1 -2.098 3.244 -0.214 0.00 0.00 +0.061 A ATOM 4 C LIG 1 -0.976 2.443 0.012 0.00 0.00 -0.006 A ATOM 5 C LIG 1 0.303 2.767 0.716 0.00 0.00 +0.150 C ATOM 6 N LIG 1 1.073 1.531 0.627 0.00 0.00 -0.263 N ATOM 7 C LIG 1 0.358 0.534 -0.047 0.00 0.00 +0.251 C ATOM 8 O LIG 1 0.652 -0.617 -0.325 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -0.937 1.123 -0.428 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -1.992 0.535 -1.102 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 2.385 1.420 1.170 0.00 0.00 +0.037 A ATOM 12 C LIG 1 3.130 0.235 1.071 0.00 0.00 +0.027 A ATOM 13 C LIG 1 4.440 0.088 1.593 0.00 0.00 -0.039 A ATOM 14 C LIG 1 4.986 1.217 2.218 0.00 0.00 +0.004 A ATOM 15 C LIG 1 4.272 2.404 2.339 0.00 0.00 +0.002 A ATOM 16 C LIG 1 2.981 2.502 1.823 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 5.253 -1.305 1.455 0.00 0.00 +0.005 C ATOM 18 C LIG 1 6.245 -1.702 2.604 0.00 0.00 +0.030 C ATOM 19 C LIG 1 5.082 -2.457 3.285 0.00 0.00 +0.093 C ATOM 20 C LIG 1 4.444 -2.585 1.887 0.00 0.00 +0.030 C BRANCH 19 21 ATOM 21 C LIG 1 5.442 -3.699 3.923 0.00 0.00 +0.066 C ATOM 22 N LIG 1 5.746 -4.698 4.428 0.00 0.00 -0.196 NA ENDBRANCH 19 21 BRANCH 17 23 ATOM 23 C LIG 1 5.849 -1.455 0.045 0.00 0.00 +0.088 C BRANCH 23 24 ATOM 24 C LIG 1 7.011 -0.571 -0.248 0.00 0.00 +0.134 A ATOM 25 N LIG 1 7.757 -0.653 -1.397 0.00 0.00 -0.320 N ATOM 26 C LIG 1 7.567 -1.549 -2.503 0.00 0.00 +0.151 C ATOM 27 C LIG 1 8.716 0.308 -1.292 0.00 0.00 +0.224 A ATOM 28 N LIG 1 8.584 0.945 -0.153 0.00 0.00 -0.138 NA ATOM 29 N LIG 1 7.522 0.385 0.512 0.00 0.00 -0.135 NA ENDBRANCH 23 24 ENDBRANCH 17 23 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 30 ATOM 30 C LIG 1 -2.152 4.681 0.256 0.00 0.00 +0.418 C ATOM 31 F LIG 1 -1.438 5.518 -0.552 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -3.412 5.190 0.302 0.00 0.00 -0.166 F ATOM 33 F LIG 1 -1.635 4.844 1.513 0.00 0.00 -0.166 F ENDBRANCH 3 30 BRANCH 1 34 ATOM 34 C LIG 1 -4.328 0.704 -2.065 0.00 0.00 +0.119 C BRANCH 34 39 ATOM 35 C LIG 1 -8.390 -2.761 -1.182 0.00 0.00 +0.007 C ATOM 36 C LIG 1 -8.266 -1.232 -1.209 0.00 0.00 -0.013 C ATOM 37 C LIG 1 -7.298 -0.744 -2.296 0.00 0.00 +0.018 C ATOM 38 C LIG 1 -5.844 -1.196 -2.138 0.00 0.00 +0.085 C ATOM 39 N LIG 1 -4.973 -0.374 -1.296 0.00 0.00 -0.298 NA ATOM 40 C LIG 1 -5.556 0.120 -0.044 0.00 0.00 +0.085 C ATOM 41 C LIG 1 -6.527 -0.818 0.680 0.00 0.00 +0.016 C ATOM 42 C LIG 1 -7.968 -0.675 0.188 0.00 0.00 +0.004 C ENDBRANCH 34 39 ENDBRANCH 1 34 TORSDOF 8