REMARK Name = BDB004801 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.073 -3.688 -2.007 0.00 0.00 +0.033 C ATOM 2 C LIG 1 -1.547 -2.406 -1.349 0.00 0.00 +0.099 C ENDROOT BRANCH 2 3 ATOM 3 C LIG 1 -0.147 -2.564 -0.769 0.00 0.00 -0.026 A ATOM 4 C LIG 1 0.769 -1.502 -0.886 0.00 0.00 +0.028 A ATOM 5 C LIG 1 2.062 -1.584 -0.349 0.00 0.00 +0.034 A ATOM 6 C LIG 1 2.439 -2.744 0.324 0.00 0.00 +0.023 A ATOM 7 C LIG 1 1.539 -3.803 0.463 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.255 -3.713 -0.074 0.00 0.00 +0.005 A BRANCH 5 9 ATOM 9 N LIG 1 2.901 -0.461 -0.515 0.00 0.00 -0.281 N ATOM 10 H LIG 1 2.490 0.313 -1.021 0.00 0.00 +0.155 HD ATOM 11 C LIG 1 4.227 -0.346 -0.143 0.00 0.00 +0.248 C ATOM 12 O LIG 1 4.942 -1.219 0.332 0.00 0.00 -0.270 OA BRANCH 11 13 ATOM 13 C LIG 1 4.837 0.989 -0.395 0.00 0.00 +0.040 A ATOM 14 C LIG 1 6.179 1.044 -0.786 0.00 0.00 +0.052 A ATOM 15 C LIG 1 6.780 2.278 -1.018 0.00 0.00 +0.141 A ATOM 16 F LIG 1 8.063 2.305 -1.404 0.00 0.00 -0.204 F ATOM 17 C LIG 1 6.068 3.465 -0.856 0.00 0.00 +0.087 A ATOM 18 C LIG 1 4.730 3.413 -0.447 0.00 0.00 +0.022 A ATOM 19 C LIG 1 4.114 2.178 -0.212 0.00 0.00 +0.014 A BRANCH 17 20 ATOM 20 C LIG 1 6.700 4.725 -1.099 0.00 0.00 +0.102 C ATOM 21 N LIG 1 7.174 5.767 -1.291 0.00 0.00 -0.191 NA ENDBRANCH 17 20 ENDBRANCH 11 13 ENDBRANCH 5 9 ENDBRANCH 2 3 BRANCH 2 22 ATOM 22 N LIG 1 -2.480 -2.035 -0.280 0.00 0.00 -0.322 N ATOM 23 H LIG 1 -2.201 -2.459 0.601 0.00 0.00 +0.148 HD BRANCH 22 24 ATOM 24 C LIG 1 -2.739 -0.666 -0.068 0.00 0.00 +0.130 A ATOM 25 C LIG 1 -3.615 -0.285 0.973 0.00 0.00 +0.041 A ATOM 26 C LIG 1 -3.838 1.097 1.140 0.00 0.00 +0.088 A ATOM 27 C LIG 1 -4.695 1.499 2.187 0.00 0.00 +0.063 A ATOM 28 C LIG 1 -5.317 0.557 3.029 0.00 0.00 +0.015 A ATOM 29 C LIG 1 -5.108 -0.799 2.845 0.00 0.00 +0.002 A ATOM 30 N LIG 1 -3.249 1.987 0.311 0.00 0.00 -0.235 NA ATOM 31 C LIG 1 -2.469 1.512 -0.666 0.00 0.00 +0.223 A ATOM 32 C LIG 1 -4.266 -1.216 1.823 0.00 0.00 +0.013 A ATOM 33 N LIG 1 -2.182 0.233 -0.893 0.00 0.00 -0.220 NA BRANCH 27 34 ATOM 34 C LIG 1 -5.012 2.932 2.484 0.00 0.00 +0.244 C ATOM 35 O LIG 1 -5.761 3.248 3.403 0.00 0.00 -0.270 OA ATOM 36 N LIG 1 -4.449 3.900 1.707 0.00 0.00 -0.325 N ATOM 37 H LIG 1 -4.679 4.866 1.885 0.00 0.00 +0.145 HD ATOM 38 H LIG 1 -3.849 3.655 0.925 0.00 0.00 +0.145 HD ENDBRANCH 27 34 ENDBRANCH 22 24 ENDBRANCH 2 22 TORSDOF 7