REMARK Name = BDB034407 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.139 0.106 1.780 0.00 0.00 -0.041 A ATOM 2 C LIG 1 3.395 -0.429 2.842 0.00 0.00 +0.032 A ATOM 3 C LIG 1 2.075 -0.072 3.083 0.00 0.00 +0.073 A ATOM 4 C LIG 1 1.450 0.879 2.243 0.00 0.00 +0.021 A ATOM 5 C LIG 1 0.100 1.241 2.528 0.00 0.00 +0.038 A ATOM 6 C LIG 1 -0.548 0.572 3.567 0.00 0.00 +0.043 A ATOM 7 C LIG 1 0.158 -0.346 4.322 0.00 0.00 +0.113 A ATOM 8 C LIG 1 2.198 1.405 1.161 0.00 0.00 +0.012 A ATOM 9 N LIG 1 1.448 -0.663 4.110 0.00 0.00 -0.255 NA ATOM 10 C LIG 1 3.523 1.027 0.934 0.00 0.00 +0.005 A ENDROOT BRANCH 5 11 ATOM 11 N LIG 1 -0.566 2.172 1.704 0.00 0.00 -0.343 N ATOM 12 H LIG 1 0.063 2.937 1.467 0.00 0.00 +0.146 HD BRANCH 11 13 ATOM 13 C LIG 1 -1.904 2.647 2.047 0.00 0.00 +0.103 C BRANCH 13 14 ATOM 14 C LIG 1 -2.413 3.620 0.981 0.00 0.00 +0.034 C BRANCH 14 15 ATOM 15 C LIG 1 -2.590 3.010 -0.414 0.00 0.00 +0.083 C BRANCH 15 16 ATOM 16 N LIG 1 -3.599 1.950 -0.423 0.00 0.00 -0.312 NA ATOM 17 H LIG 1 -3.239 1.151 0.102 0.00 0.00 +0.122 HD BRANCH 16 18 ATOM 18 C LIG 1 -3.849 1.483 -1.793 0.00 0.00 +0.120 C BRANCH 18 19 ATOM 19 C LIG 1 -4.850 0.360 -1.810 0.00 0.00 +0.012 A ATOM 20 C LIG 1 -4.557 -0.881 -2.353 0.00 0.00 +0.171 A ATOM 21 O LIG 1 -3.374 -1.254 -2.916 0.00 0.00 -0.452 OA ATOM 22 C LIG 1 -3.656 -2.620 -3.280 0.00 0.00 +0.466 C ATOM 23 O LIG 1 -4.995 -3.036 -2.950 0.00 0.00 -0.453 OA ATOM 24 C LIG 1 -5.482 -1.903 -2.377 0.00 0.00 +0.167 A ATOM 25 C LIG 1 -6.753 -1.752 -1.866 0.00 0.00 +0.049 A ATOM 26 C LIG 1 -7.086 -0.514 -1.314 0.00 0.00 +0.004 A ATOM 27 C LIG 1 -6.145 0.531 -1.288 0.00 0.00 +0.009 A ENDBRANCH 18 19 ENDBRANCH 16 18 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 11 13 ENDBRANCH 5 11 BRANCH 1 28 ATOM 28 C LIG 1 5.566 -0.330 1.546 0.00 0.00 +0.070 C BRANCH 28 32 ATOM 29 C LIG 1 6.026 -2.940 -1.871 0.00 0.00 +0.052 A ATOM 30 C LIG 1 6.512 -1.630 -1.918 0.00 0.00 +0.019 A ATOM 31 C LIG 1 6.366 -0.787 -0.813 0.00 0.00 +0.005 A ATOM 32 C LIG 1 5.733 -1.244 0.352 0.00 0.00 -0.043 A ATOM 33 C LIG 1 5.249 -2.560 0.391 0.00 0.00 +0.005 A ATOM 34 C LIG 1 5.393 -3.403 -0.714 0.00 0.00 +0.019 A BRANCH 29 36 ATOM 35 N LIG 1 6.294 -4.500 -3.926 0.00 0.00 -0.191 NA ATOM 36 C LIG 1 6.173 -3.803 -3.006 0.00 0.00 +0.099 C ENDBRANCH 29 36 ENDBRANCH 28 32 ENDBRANCH 1 28 TORSDOF 10