REMARK Name = BDB062290 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.031 -2.464 -0.447 0.00 0.00 -0.012 A ATOM 2 C LIG 1 -1.663 -1.141 -0.706 0.00 0.00 +0.016 A ATOM 3 C LIG 1 -1.525 -0.206 0.338 0.00 0.00 -0.001 A ATOM 4 C LIG 1 -1.107 1.226 0.084 0.00 0.00 +0.140 C ATOM 5 N LIG 1 -1.146 2.083 1.280 0.00 0.00 -0.265 N ATOM 6 C LIG 1 -1.163 1.554 2.547 0.00 0.00 +0.308 C ATOM 7 N LIG 1 -1.490 0.249 2.687 0.00 0.00 -0.269 N ATOM 8 H LIG 1 -1.539 -0.080 3.642 0.00 0.00 +0.156 HD ATOM 9 O LIG 1 -0.888 2.216 3.548 0.00 0.00 -0.252 OA ATOM 10 C LIG 1 -1.702 -0.639 1.643 0.00 0.00 +0.040 A ATOM 11 C LIG 1 -2.053 -1.961 1.922 0.00 0.00 +0.024 A ATOM 12 C LIG 1 -2.225 -2.873 0.877 0.00 0.00 +0.010 A ENDROOT BRANCH 1 15 ATOM 13 C LIG 1 -0.673 -5.444 -0.938 0.00 0.00 +0.070 C ATOM 14 C LIG 1 -1.650 -4.694 -1.764 0.00 0.00 +0.088 A ATOM 15 C LIG 1 -2.208 -3.409 -1.536 0.00 0.00 +0.047 A ATOM 16 C LIG 1 -3.035 -3.203 -2.623 0.00 0.00 +0.142 A ATOM 17 C LIG 1 -3.925 -2.111 -3.071 0.00 0.00 +0.090 C ATOM 18 O LIG 1 -2.971 -4.284 -3.442 0.00 0.00 -0.359 OA ATOM 19 N LIG 1 -2.102 -5.221 -2.911 0.00 0.00 -0.083 NA ENDBRANCH 1 15 BRANCH 4 20 ATOM 20 C LIG 1 -1.874 1.855 -1.078 0.00 0.00 -0.022 A ATOM 21 C LIG 1 -3.262 2.070 -0.999 0.00 0.00 +0.006 A ATOM 22 C LIG 1 -3.954 2.625 -2.077 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -3.270 2.975 -3.240 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -1.891 2.773 -3.328 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -1.197 2.218 -2.254 0.00 0.00 +0.006 A ENDBRANCH 4 20 BRANCH 5 26 ATOM 26 C LIG 1 -0.673 3.472 1.150 0.00 0.00 +0.206 C BRANCH 26 27 ATOM 27 C LIG 1 0.844 3.479 0.944 0.00 0.00 +0.231 C ATOM 28 N LIG 1 1.563 3.104 2.061 0.00 0.00 -0.302 N ATOM 29 H LIG 1 0.998 2.776 2.844 0.00 0.00 +0.150 HD ATOM 30 O LIG 1 1.353 3.689 -0.157 0.00 0.00 -0.274 OA BRANCH 28 31 ATOM 31 C LIG 1 2.944 2.604 2.022 0.00 0.00 +0.087 C ATOM 32 C LIG 1 3.378 2.280 3.467 0.00 0.00 +0.039 C ATOM 33 C LIG 1 3.934 3.641 1.466 0.00 0.00 +0.039 C BRANCH 31 34 ATOM 34 C LIG 1 2.946 1.330 1.192 0.00 0.00 +0.131 A ATOM 35 N LIG 1 2.803 1.355 -0.178 0.00 0.00 -0.340 N ATOM 36 H LIG 1 2.663 2.201 -0.719 0.00 0.00 +0.167 HD ATOM 37 C LIG 1 2.690 0.072 -0.637 0.00 0.00 +0.067 A ATOM 38 C LIG 1 2.824 -0.718 0.502 0.00 0.00 +0.101 A ATOM 39 C LIG 1 2.748 -2.120 0.370 0.00 0.00 +0.064 A ATOM 40 C LIG 1 2.525 -2.659 -0.911 0.00 0.00 +0.015 A ATOM 41 C LIG 1 2.378 -1.835 -2.029 0.00 0.00 +0.003 A ATOM 42 C LIG 1 2.462 -0.444 -1.916 0.00 0.00 +0.028 A ATOM 43 N LIG 1 2.999 0.079 1.622 0.00 0.00 -0.230 NA BRANCH 39 44 ATOM 44 C LIG 1 2.859 -3.029 1.532 0.00 0.00 +0.244 C ATOM 45 O LIG 1 2.650 -4.234 1.425 0.00 0.00 -0.270 OA ATOM 46 N LIG 1 3.201 -2.478 2.735 0.00 0.00 -0.325 N ATOM 47 H LIG 1 3.232 -3.071 3.546 0.00 0.00 +0.145 HD ATOM 48 H LIG 1 3.292 -1.467 2.841 0.00 0.00 +0.145 HD ENDBRANCH 39 44 ENDBRANCH 31 34 ENDBRANCH 28 31 ENDBRANCH 26 27 ENDBRANCH 5 26 TORSDOF 7