REMARK Name = BDB063682 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.408 -0.809 -1.095 0.00 0.00 -0.324 N ATOM 2 C LIG 1 0.809 -1.345 -2.329 0.00 0.00 +0.120 C ATOM 3 C LIG 1 -0.493 -0.588 -2.677 0.00 0.00 +0.103 C ATOM 4 N LIG 1 -1.543 -0.675 -1.638 0.00 0.00 -0.295 NA ATOM 5 C LIG 1 -0.947 -0.738 -0.283 0.00 0.00 +0.103 C ATOM 6 C LIG 1 0.484 -0.164 -0.145 0.00 0.00 +0.120 C ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 5.521 -0.890 -0.397 0.00 0.00 +0.129 A ATOM 8 N LIG 1 4.786 0.018 0.290 0.00 0.00 -0.213 NA ATOM 9 C LIG 1 3.455 0.017 0.035 0.00 0.00 +0.235 A ATOM 10 F LIG 1 2.757 0.950 0.706 0.00 0.00 -0.182 F ATOM 11 C LIG 1 2.777 -0.833 -0.868 0.00 0.00 +0.085 A ATOM 12 C LIG 1 3.606 -1.746 -1.538 0.00 0.00 +0.030 A ATOM 13 C LIG 1 4.983 -1.782 -1.310 0.00 0.00 +0.035 A BRANCH 7 15 ATOM 14 O LIG 1 7.743 -1.681 -0.690 0.00 0.00 -0.269 OA ATOM 15 C LIG 1 6.992 -0.896 -0.121 0.00 0.00 +0.263 C ATOM 16 N LIG 1 7.392 0.043 0.809 0.00 0.00 -0.307 N ATOM 17 H LIG 1 6.658 0.626 1.205 0.00 0.00 +0.149 HD BRANCH 16 18 ATOM 18 C LIG 1 8.746 0.220 1.210 0.00 0.00 +0.073 C ATOM 19 C LIG 1 9.140 1.370 2.095 0.00 0.00 +0.024 C ATOM 20 C LIG 1 9.562 1.354 0.655 0.00 0.00 +0.024 C ENDBRANCH 16 18 ENDBRANCH 7 15 ENDBRANCH 1 11 BRANCH 4 21 ATOM 21 C LIG 1 -2.493 0.440 -1.785 0.00 0.00 +0.122 C BRANCH 21 22 ATOM 22 C LIG 1 -3.788 0.221 -1.037 0.00 0.00 +0.004 A ATOM 23 C LIG 1 -4.333 1.241 -0.253 0.00 0.00 +0.152 A ATOM 24 F LIG 1 -3.690 2.415 -0.142 0.00 0.00 -0.203 F ATOM 25 C LIG 1 -5.540 1.060 0.423 0.00 0.00 +0.085 A ATOM 26 C LIG 1 -6.235 -0.148 0.318 0.00 0.00 +0.002 A ATOM 27 C LIG 1 -7.495 -0.303 1.044 0.00 0.00 +0.024 A ATOM 28 C LIG 1 -7.977 0.697 1.804 0.00 0.00 +0.082 A ATOM 29 C LIG 1 -7.255 1.992 1.894 0.00 0.00 +0.258 A ATOM 30 O LIG 1 -7.703 2.935 2.538 0.00 0.00 -0.267 OA ATOM 31 C LIG 1 -5.710 -1.173 -0.472 0.00 0.00 +0.010 A ATOM 32 N LIG 1 -6.074 2.092 1.209 0.00 0.00 -0.319 N ATOM 33 H LIG 1 -5.576 2.973 1.274 0.00 0.00 +0.169 HD ATOM 34 C LIG 1 -4.498 -0.987 -1.148 0.00 0.00 +0.008 A BRANCH 28 35 ATOM 35 C LIG 1 -9.245 0.640 2.582 0.00 0.00 +0.377 C ATOM 36 F LIG 1 -8.997 0.406 3.899 0.00 0.00 -0.204 F ATOM 37 F LIG 1 -10.027 -0.402 2.169 0.00 0.00 -0.204 F ENDBRANCH 28 35 ENDBRANCH 21 22 ENDBRANCH 4 21 TORSDOF 6