REMARK Name = BDB003967 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.660 -2.033 -2.104 0.00 0.00 +0.122 A ATOM 2 C LIG 1 -3.829 -1.774 -1.375 0.00 0.00 +0.070 A ATOM 3 C LIG 1 -4.975 -1.212 -1.967 0.00 0.00 +0.051 A ATOM 4 C LIG 1 -4.899 -0.881 -3.337 0.00 0.00 +0.073 A ATOM 5 C LIG 1 -3.725 -1.128 -4.067 0.00 0.00 +0.024 A ATOM 6 C LIG 1 -2.611 -1.702 -3.454 0.00 0.00 +0.047 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -6.137 -0.958 -1.232 0.00 0.00 -0.328 N ATOM 8 C LIG 1 -6.296 0.445 -0.801 0.00 0.00 +0.121 C ATOM 9 C LIG 1 -7.092 0.390 0.518 0.00 0.00 +0.064 C ATOM 10 C LIG 1 -8.596 0.421 0.214 0.00 0.00 +0.227 C ATOM 11 O LIG 1 -9.296 -0.587 0.157 0.00 0.00 -0.275 OA ATOM 12 N LIG 1 -9.138 1.641 -0.078 0.00 0.00 -0.256 N ATOM 13 H LIG 1 -9.973 1.442 -0.627 0.00 0.00 +0.157 HD ATOM 14 C LIG 1 -9.660 2.333 0.979 0.00 0.00 +0.219 C ATOM 15 O LIG 1 -10.863 2.592 1.004 0.00 0.00 -0.275 OA ATOM 16 C LIG 1 -8.725 2.843 2.054 0.00 0.00 +0.096 C ATOM 17 C LIG 1 -7.670 1.859 2.545 0.00 0.00 +0.010 C ATOM 18 C LIG 1 -6.656 1.536 1.451 0.00 0.00 +0.018 C ATOM 19 C LIG 1 -6.681 -0.983 1.079 0.00 0.00 +0.036 C ATOM 20 C LIG 1 -6.555 -1.870 -0.158 0.00 0.00 +0.106 C ENDBRANCH 3 7 BRANCH 4 21 ATOM 21 C LIG 1 -6.013 -0.295 -4.029 0.00 0.00 +0.101 C ATOM 22 N LIG 1 -6.879 0.212 -4.615 0.00 0.00 -0.191 NA ENDBRANCH 4 21 BRANCH 1 23 ATOM 23 O LIG 1 -1.643 -2.578 -1.371 0.00 0.00 -0.492 OA BRANCH 23 24 ATOM 24 C LIG 1 -0.549 -3.178 -2.065 0.00 0.00 +0.229 C BRANCH 24 25 ATOM 25 C LIG 1 0.613 -2.197 -2.241 0.00 0.00 +0.041 C BRANCH 25 26 ATOM 26 C LIG 1 1.174 -1.720 -0.897 0.00 0.00 +0.003 C BRANCH 26 27 ATOM 27 C LIG 1 2.310 -0.699 -1.036 0.00 0.00 +0.000 C BRANCH 27 28 ATOM 28 C LIG 1 3.578 -1.285 -1.663 0.00 0.00 +0.000 C BRANCH 28 29 ATOM 29 C LIG 1 4.721 -0.271 -1.786 0.00 0.00 +0.000 C BRANCH 29 30 ATOM 30 C LIG 1 5.254 0.307 -0.470 0.00 0.00 +0.001 C BRANCH 30 31 ATOM 31 C LIG 1 5.783 -0.762 0.492 0.00 0.00 +0.011 C BRANCH 31 32 ATOM 32 C LIG 1 6.463 -0.154 1.721 0.00 0.00 +0.120 C BRANCH 32 33 ATOM 33 C LIG 1 7.833 0.415 1.423 0.00 0.00 +0.308 C ATOM 34 O LIG 1 8.433 0.291 0.366 0.00 0.00 -0.251 OA BRANCH 33 35 ATOM 35 O LIG 1 8.290 1.066 2.528 0.00 0.00 -0.459 OA BRANCH 35 37 ATOM 36 C LIG 1 9.730 2.314 3.930 0.00 0.00 +0.055 C ATOM 37 C LIG 1 9.592 1.707 2.525 0.00 0.00 +0.105 C ATOM 38 C LIG 1 9.650 2.841 1.494 0.00 0.00 +0.055 C ATOM 39 C LIG 1 10.717 0.687 2.320 0.00 0.00 +0.055 C ENDBRANCH 35 37 ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 1 23 TORSDOF 15