REMARK Name = BDB065277 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.384 -0.509 1.499 0.00 0.00 +0.132 A ATOM 2 N LIG 1 -0.382 0.283 0.650 0.00 0.00 -0.323 N ATOM 3 C LIG 1 -1.539 -0.440 0.351 0.00 0.00 +0.069 A ATOM 4 C LIG 1 -1.415 -1.626 1.055 0.00 0.00 +0.090 A ATOM 5 C LIG 1 -2.420 -2.602 0.984 0.00 0.00 +0.038 A ATOM 6 C LIG 1 -3.549 -2.356 0.191 0.00 0.00 -0.011 A ATOM 7 C LIG 1 -3.666 -1.147 -0.505 0.00 0.00 +0.011 A ATOM 8 C LIG 1 -2.668 -0.166 -0.438 0.00 0.00 +0.028 A ATOM 9 N LIG 1 -0.251 -1.643 1.759 0.00 0.00 -0.230 NA ENDROOT BRANCH 1 11 ATOM 10 N LIG 1 2.843 -0.064 1.209 0.00 0.00 -0.258 N ATOM 11 C LIG 1 1.736 -0.275 2.121 0.00 0.00 +0.151 C ATOM 12 C LIG 1 1.765 0.898 3.080 0.00 0.00 +0.077 C ATOM 13 C LIG 1 3.237 1.225 3.163 0.00 0.00 +0.254 C ATOM 14 F LIG 1 3.384 2.547 3.440 0.00 0.00 -0.236 F ATOM 15 C LIG 1 3.775 0.820 1.802 0.00 0.00 +0.255 C ATOM 16 O LIG 1 4.859 1.180 1.364 0.00 0.00 -0.272 OA BRANCH 10 23 ATOM 17 C LIG 1 4.412 -1.275 -1.987 0.00 0.00 +0.160 A ATOM 18 C LIG 1 3.768 -2.500 -2.145 0.00 0.00 +0.200 A ATOM 19 F LIG 1 4.042 -3.279 -3.203 0.00 0.00 -0.199 F ATOM 20 C LIG 1 2.842 -2.925 -1.206 0.00 0.00 +0.164 A ATOM 21 F LIG 1 2.234 -4.111 -1.352 0.00 0.00 -0.202 F ATOM 22 C LIG 1 2.535 -2.139 -0.097 0.00 0.00 +0.065 A ATOM 23 C LIG 1 3.154 -0.898 0.090 0.00 0.00 +0.043 A ATOM 24 C LIG 1 4.094 -0.482 -0.875 0.00 0.00 +0.072 A BRANCH 17 26 ATOM 25 C LIG 1 6.139 0.188 -2.731 0.00 0.00 +0.277 C ATOM 26 O LIG 1 5.305 -0.940 -2.969 0.00 0.00 -0.492 OA ENDBRANCH 17 26 ENDBRANCH 10 23 ENDBRANCH 1 11 BRANCH 6 27 ATOM 27 C LIG 1 -4.599 -3.349 0.112 0.00 0.00 +0.047 A ATOM 28 C LIG 1 -5.024 -3.958 -1.049 0.00 0.00 +0.142 A ATOM 29 C LIG 1 -4.643 -3.867 -2.471 0.00 0.00 +0.090 C ATOM 30 O LIG 1 -6.015 -4.841 -0.752 0.00 0.00 -0.359 OA ATOM 31 N LIG 1 -6.250 -4.838 0.610 0.00 0.00 -0.083 NA ATOM 32 C LIG 1 -5.396 -3.944 1.125 0.00 0.00 +0.088 A ATOM 33 C LIG 1 -5.381 -3.688 2.584 0.00 0.00 +0.070 C ENDBRANCH 6 27 BRANCH 2 34 ATOM 34 C LIG 1 -0.212 1.652 0.159 0.00 0.00 +0.089 C ATOM 35 C LIG 1 1.181 2.099 -0.284 0.00 0.00 +0.027 C ATOM 36 C LIG 1 1.144 3.445 -1.027 0.00 0.00 +0.033 C ATOM 37 C LIG 1 0.065 4.408 -0.506 0.00 0.00 +0.118 C ATOM 38 C LIG 1 -0.304 4.091 0.945 0.00 0.00 +0.033 C ATOM 39 C LIG 1 -0.875 2.677 1.101 0.00 0.00 +0.027 C BRANCH 37 40 ATOM 40 O LIG 1 -1.131 4.264 -1.284 0.00 0.00 -0.380 OA ATOM 41 C LIG 1 -1.139 5.084 -2.447 0.00 0.00 +0.194 C ENDBRANCH 37 40 ENDBRANCH 2 34 TORSDOF 6