REMARK Name = BDB009628 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.871 -0.907 -0.304 0.00 0.00 -0.282 N ATOM 2 C LIG 1 -0.450 -0.216 -0.343 0.00 0.00 +0.114 C ATOM 3 C LIG 1 -1.704 -1.135 -0.205 0.00 0.00 +0.045 C ATOM 4 C LIG 1 -1.380 -2.593 -0.525 0.00 0.00 +0.026 C ATOM 5 C LIG 1 -0.197 -3.103 0.307 0.00 0.00 +0.055 C ATOM 6 C LIG 1 0.067 -4.571 -0.103 0.00 0.00 +0.021 C ATOM 7 C LIG 1 1.030 -2.270 -0.062 0.00 0.00 +0.223 C ATOM 8 O LIG 1 2.140 -2.805 -0.100 0.00 0.00 -0.275 OA ENDROOT BRANCH 2 9 ATOM 9 C LIG 1 -0.556 0.915 0.685 0.00 0.00 -0.026 A ATOM 10 C LIG 1 0.050 0.838 1.950 0.00 0.00 +0.007 A ATOM 11 C LIG 1 -0.066 1.889 2.864 0.00 0.00 +0.020 A ATOM 12 C LIG 1 -0.788 3.028 2.524 0.00 0.00 +0.041 A ATOM 13 CL LIG 1 -0.906 4.331 3.640 0.00 0.00 -0.084 Cl ATOM 14 C LIG 1 -1.407 3.122 1.281 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -1.294 2.071 0.368 0.00 0.00 +0.007 A ENDBRANCH 2 9 BRANCH 3 16 ATOM 16 C LIG 1 -2.888 -0.660 -1.044 0.00 0.00 -0.041 A ATOM 17 C LIG 1 -2.816 -0.567 -2.444 0.00 0.00 +0.024 A ATOM 18 C LIG 1 -3.916 -0.122 -3.179 0.00 0.00 +0.041 A ATOM 19 CL LIG 1 -3.804 -0.008 -4.893 0.00 0.00 -0.084 Cl ATOM 20 C LIG 1 -5.101 0.231 -2.539 0.00 0.00 +0.020 A ATOM 21 C LIG 1 -5.188 0.135 -1.151 0.00 0.00 +0.002 A ATOM 22 C LIG 1 -4.090 -0.309 -0.410 0.00 0.00 +0.004 A ENDBRANCH 3 16 BRANCH 1 23 ATOM 23 C LIG 1 2.058 -0.246 -0.941 0.00 0.00 +0.165 C BRANCH 23 24 ATOM 24 C LIG 1 2.172 1.219 -0.647 0.00 0.00 +0.248 A ATOM 25 O LIG 1 1.577 2.087 -1.520 0.00 0.00 -0.336 OA ATOM 26 N LIG 1 1.818 3.370 -1.032 0.00 0.00 -0.061 NA ATOM 27 C LIG 1 2.522 3.146 0.083 0.00 0.00 +0.175 A ATOM 28 N LIG 1 2.788 1.826 0.345 0.00 0.00 -0.194 NA BRANCH 27 29 ATOM 29 C LIG 1 2.993 4.304 1.008 0.00 0.00 +0.060 C ATOM 30 C LIG 1 3.189 4.047 2.480 0.00 0.00 +0.012 C ATOM 31 C LIG 1 4.381 4.266 1.594 0.00 0.00 +0.012 C ENDBRANCH 27 29 ENDBRANCH 23 24 BRANCH 23 33 ATOM 32 C LIG 1 3.422 -0.191 -3.111 0.00 0.00 +0.006 C ATOM 33 C LIG 1 2.094 -0.555 -2.457 0.00 0.00 +0.029 C ENDBRANCH 23 33 ENDBRANCH 1 23 BRANCH 5 34 ATOM 34 C LIG 1 -0.370 -3.025 1.836 0.00 0.00 +0.136 C BRANCH 34 35 ATOM 35 C LIG 1 -1.568 -3.783 2.346 0.00 0.00 +0.306 C ATOM 36 O LIG 1 -2.709 -3.352 2.293 0.00 0.00 -0.251 OA BRANCH 35 37 ATOM 37 O LIG 1 -1.274 -5.000 2.849 0.00 0.00 -0.481 OA ATOM 38 H LIG 1 -0.327 -5.235 2.834 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 5 34 TORSDOF 9