REMARK Name = BDB032136 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 4.304 -0.029 -0.452 0.00 0.00 -0.282 N ATOM 2 C LIG 1 3.200 0.316 -1.218 0.00 0.00 +0.248 C ATOM 3 O LIG 1 3.084 1.246 -1.992 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.155 -0.669 -0.925 0.00 0.00 +0.045 A ATOM 5 C LIG 1 2.640 -1.524 0.058 0.00 0.00 +0.017 A ATOM 6 C LIG 1 1.843 -2.542 0.525 0.00 0.00 +0.129 A ATOM 7 C LIG 1 0.558 -2.703 0.003 0.00 0.00 +0.045 A ATOM 8 C LIG 1 0.072 -1.835 -1.003 0.00 0.00 -0.007 A ATOM 9 F LIG 1 2.289 -3.370 1.477 0.00 0.00 -0.205 F ATOM 10 C LIG 1 0.887 -0.790 -1.467 0.00 0.00 +0.020 A ATOM 11 C LIG 1 4.015 -1.131 0.461 0.00 0.00 +0.147 C ENDROOT BRANCH 1 18 ATOM 12 O LIG 1 8.659 2.512 1.695 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 7.715 2.080 1.040 0.00 0.00 +0.219 C ATOM 14 N LIG 1 6.426 2.447 1.332 0.00 0.00 -0.255 N ATOM 15 H LIG 1 6.327 3.015 2.163 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 5.291 1.761 0.963 0.00 0.00 +0.240 C ATOM 17 O LIG 1 4.257 1.874 1.618 0.00 0.00 -0.273 OA ATOM 18 C LIG 1 5.437 0.875 -0.286 0.00 0.00 +0.163 C ATOM 19 C LIG 1 6.770 0.135 -0.216 0.00 0.00 +0.041 C ATOM 20 C LIG 1 7.904 1.145 -0.131 0.00 0.00 +0.098 C ENDBRANCH 1 18 BRANCH 8 21 ATOM 21 C LIG 1 -1.330 -1.998 -1.533 0.00 0.00 +0.269 C BRANCH 21 22 ATOM 22 O LIG 1 -2.190 -1.195 -0.723 0.00 0.00 -0.445 OA BRANCH 22 23 ATOM 23 C LIG 1 -3.500 -1.269 -1.076 0.00 0.00 +0.405 C ATOM 24 N LIG 1 -4.208 -0.454 -0.240 0.00 0.00 -0.251 N ATOM 25 H LIG 1 -3.630 0.022 0.439 0.00 0.00 +0.158 HD ATOM 26 O LIG 1 -3.919 -1.960 -1.991 0.00 0.00 -0.226 OA BRANCH 24 27 ATOM 27 C LIG 1 -5.592 -0.208 -0.222 0.00 0.00 +0.040 A ATOM 28 C LIG 1 -6.070 0.687 0.752 0.00 0.00 +0.072 A ATOM 29 C LIG 1 -7.433 0.989 0.843 0.00 0.00 +0.164 A ATOM 30 C LIG 1 -8.311 0.381 -0.057 0.00 0.00 +0.165 A ATOM 31 F LIG 1 -9.625 0.648 0.002 0.00 0.00 -0.202 F ATOM 32 C LIG 1 -7.855 -0.505 -1.026 0.00 0.00 +0.044 A ATOM 33 C LIG 1 -6.494 -0.800 -1.109 0.00 0.00 +0.026 A BRANCH 29 34 ATOM 34 O LIG 1 -8.015 1.838 1.742 0.00 0.00 -0.431 OA BRANCH 34 35 ATOM 35 C LIG 1 -7.191 2.495 2.692 0.00 0.00 +0.541 C ATOM 36 F LIG 1 -6.262 3.247 2.054 0.00 0.00 -0.166 F ATOM 37 F LIG 1 -6.542 1.578 3.450 0.00 0.00 -0.166 F ENDBRANCH 34 35 ENDBRANCH 29 34 ENDBRANCH 24 27 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 8 21 TORSDOF 7