REMARK Name = BDB016773 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.965 0.354 -1.675 0.00 0.00 +0.093 A ATOM 2 C LIG 1 1.942 -0.299 -0.859 0.00 0.00 +0.027 A ATOM 3 C LIG 1 3.048 -0.455 -1.686 0.00 0.00 +0.067 A ATOM 4 C LIG 1 4.238 -1.066 -1.275 0.00 0.00 +0.031 A ATOM 5 C LIG 1 4.342 -1.524 0.052 0.00 0.00 -0.041 A ATOM 6 C LIG 1 3.228 -1.374 0.895 0.00 0.00 +0.005 A ATOM 7 N LIG 1 2.687 0.105 -2.880 0.00 0.00 -0.276 N ATOM 8 H LIG 1 3.247 0.176 -3.721 0.00 0.00 +0.189 HD ATOM 9 C LIG 1 2.038 -0.765 0.466 0.00 0.00 +0.012 A ATOM 10 N LIG 1 1.451 0.624 -2.895 0.00 0.00 -0.173 NA ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 5.611 -2.187 0.536 0.00 0.00 +0.040 C ATOM 12 C LIG 1 6.932 -1.446 0.610 0.00 0.00 +0.081 C ATOM 13 C LIG 1 7.161 -0.010 0.232 0.00 0.00 -0.011 A ATOM 14 C LIG 1 8.426 0.075 -0.373 0.00 0.00 +0.038 A ATOM 15 C LIG 1 8.967 1.253 -0.846 0.00 0.00 +0.023 A ATOM 16 C LIG 1 8.200 2.409 -0.701 0.00 0.00 +0.002 A ATOM 17 C LIG 1 6.935 2.357 -0.090 0.00 0.00 +0.000 A ATOM 18 N LIG 1 9.017 -1.190 -0.398 0.00 0.00 -0.284 N ATOM 19 H LIG 1 9.932 -1.403 -0.762 0.00 0.00 +0.155 HD ATOM 20 C LIG 1 6.412 1.148 0.383 0.00 0.00 +0.006 A ATOM 21 C LIG 1 8.201 -2.146 0.180 0.00 0.00 +0.228 C ATOM 22 O LIG 1 8.436 -3.334 0.324 0.00 0.00 -0.274 OA ATOM 23 C LIG 1 6.218 -1.824 1.876 0.00 0.00 +0.031 C ENDBRANCH 5 11 BRANCH 1 25 ATOM 24 C LIG 1 -1.181 0.104 -0.455 0.00 0.00 +0.010 C ATOM 25 C LIG 1 -0.367 0.742 -1.314 0.00 0.00 +0.031 C BRANCH 24 30 ATOM 26 C LIG 1 -5.204 1.285 0.536 0.00 0.00 +0.037 A ATOM 27 C LIG 1 -4.331 0.756 1.488 0.00 0.00 +0.131 A ATOM 28 F LIG 1 -4.733 0.606 2.758 0.00 0.00 -0.205 F ATOM 29 C LIG 1 -3.027 0.377 1.163 0.00 0.00 +0.046 A ATOM 30 C LIG 1 -2.548 0.540 -0.140 0.00 0.00 -0.020 A ATOM 31 C LIG 1 -3.411 1.068 -1.105 0.00 0.00 +0.046 A ATOM 32 C LIG 1 -4.712 1.440 -0.760 0.00 0.00 +0.131 A ATOM 33 F LIG 1 -5.492 1.962 -1.716 0.00 0.00 -0.205 F BRANCH 26 34 ATOM 34 C LIG 1 -6.609 1.693 0.902 0.00 0.00 +0.125 C BRANCH 34 35 ATOM 35 N LIG 1 -7.671 0.670 0.789 0.00 0.00 -0.298 NA BRANCH 35 37 ATOM 36 C LIG 1 -8.727 -1.247 1.996 0.00 0.00 +0.020 C ATOM 37 C LIG 1 -7.452 -0.460 1.704 0.00 0.00 +0.081 C ENDBRANCH 35 37 BRANCH 35 38 ATOM 38 C LIG 1 -7.958 0.248 -0.588 0.00 0.00 +0.081 C ATOM 39 C LIG 1 -8.606 1.351 -1.420 0.00 0.00 +0.020 C ENDBRANCH 35 38 ENDBRANCH 34 35 ENDBRANCH 26 34 ENDBRANCH 24 30 ENDBRANCH 1 25 TORSDOF 7