REMARK Name = BDB041986 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.366 1.889 0.228 0.00 0.00 +0.247 C ATOM 2 N LIG 1 -0.828 1.417 -0.308 0.00 0.00 -0.295 N ATOM 3 C LIG 1 -1.988 2.319 -0.259 0.00 0.00 +0.127 C ATOM 4 C LIG 1 -3.128 1.925 -1.233 0.00 0.00 +0.075 C ATOM 5 N LIG 1 -3.524 0.500 -1.149 0.00 0.00 -0.283 NA ATOM 6 C LIG 1 -2.294 -0.173 -1.622 0.00 0.00 +0.075 C ATOM 7 C LIG 1 -2.064 0.579 -2.940 0.00 0.00 +0.022 C ATOM 8 C LIG 1 -2.627 1.978 -2.682 0.00 0.00 +0.022 C ATOM 9 C LIG 1 -1.076 0.012 -0.680 0.00 0.00 +0.127 C ATOM 10 O LIG 1 0.550 3.049 0.584 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 17 ATOM 11 N LIG 1 5.731 -0.800 -0.304 0.00 0.00 -0.282 N ATOM 12 C LIG 1 4.907 -1.473 0.594 0.00 0.00 +0.251 C ATOM 13 O LIG 1 5.154 -2.493 1.206 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 3.647 -0.731 0.658 0.00 0.00 +0.077 A ATOM 15 C LIG 1 3.704 0.297 -0.283 0.00 0.00 -0.014 A ATOM 16 C LIG 1 2.633 1.160 -0.443 0.00 0.00 +0.019 A ATOM 17 C LIG 1 1.502 0.957 0.364 0.00 0.00 +0.040 A ATOM 18 C LIG 1 1.459 -0.068 1.327 0.00 0.00 +0.052 A ATOM 19 C LIG 1 2.546 -0.926 1.465 0.00 0.00 +0.137 A ATOM 20 F LIG 1 2.502 -1.906 2.374 0.00 0.00 -0.205 F ATOM 21 C LIG 1 5.006 0.253 -1.010 0.00 0.00 +0.144 C BRANCH 11 28 ATOM 22 O LIG 1 9.813 1.556 0.025 0.00 0.00 -0.275 OA ATOM 23 C LIG 1 9.077 0.601 -0.207 0.00 0.00 +0.219 C ATOM 24 N LIG 1 8.682 0.316 -1.490 0.00 0.00 -0.255 N ATOM 25 H LIG 1 9.042 0.938 -2.201 0.00 0.00 +0.158 HD ATOM 26 C LIG 1 7.652 -0.506 -1.880 0.00 0.00 +0.240 C ATOM 27 O LIG 1 7.203 -0.430 -3.023 0.00 0.00 -0.273 OA ATOM 28 C LIG 1 6.997 -1.365 -0.786 0.00 0.00 +0.163 C ATOM 29 C LIG 1 8.018 -1.595 0.334 0.00 0.00 +0.041 C ATOM 30 C LIG 1 8.504 -0.264 0.888 0.00 0.00 +0.098 C ENDBRANCH 11 28 ENDBRANCH 1 17 BRANCH 5 31 ATOM 31 C LIG 1 -4.019 0.063 0.178 0.00 0.00 +0.118 C BRANCH 31 32 ATOM 32 C LIG 1 -4.300 -1.444 0.240 0.00 0.00 -0.026 A ATOM 33 C LIG 1 -5.005 -2.109 -0.778 0.00 0.00 +0.005 A ATOM 34 C LIG 1 -5.256 -3.479 -0.696 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -4.812 -4.205 0.407 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -4.121 -3.561 1.431 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -3.869 -2.190 1.351 0.00 0.00 +0.005 A ENDBRANCH 31 32 BRANCH 31 38 ATOM 38 C LIG 1 -5.254 0.849 0.634 0.00 0.00 -0.026 A ATOM 39 C LIG 1 -6.336 1.095 -0.229 0.00 0.00 +0.005 A ATOM 40 C LIG 1 -7.455 1.804 0.211 0.00 0.00 +0.000 A ATOM 41 C LIG 1 -7.513 2.274 1.520 0.00 0.00 +0.000 A ATOM 42 C LIG 1 -6.454 2.033 2.393 0.00 0.00 +0.000 A ATOM 43 C LIG 1 -5.333 1.324 1.955 0.00 0.00 +0.005 A ENDBRANCH 31 38 ENDBRANCH 5 31 TORSDOF 5