REMARK Name = BDB016037 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.470 -1.472 0.630 0.00 0.00 +0.162 A ATOM 2 N LIG 1 0.301 -1.163 0.033 0.00 0.00 -0.212 NA ATOM 3 C LIG 1 -0.581 -2.148 -0.206 0.00 0.00 +0.131 A ATOM 4 C LIG 1 -0.303 -3.468 0.166 0.00 0.00 +0.043 A ATOM 5 C LIG 1 0.911 -3.672 0.797 0.00 0.00 +0.125 A ATOM 6 N LIG 1 1.816 -2.705 1.034 0.00 0.00 -0.235 NA ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 3.248 1.883 0.280 0.00 0.00 -0.014 A ATOM 8 C LIG 1 2.339 0.827 0.108 0.00 0.00 +0.020 A ATOM 9 C LIG 1 2.458 -0.390 0.808 0.00 0.00 +0.020 A ATOM 10 C LIG 1 3.552 -0.524 1.681 0.00 0.00 +0.011 A ATOM 11 C LIG 1 4.473 0.511 1.856 0.00 0.00 +0.001 A ATOM 12 C LIG 1 4.319 1.711 1.161 0.00 0.00 +0.008 A BRANCH 7 17 ATOM 13 C LIG 1 3.151 6.697 -0.932 0.00 0.00 +0.172 C ATOM 14 N LIG 1 3.006 5.262 -0.955 0.00 0.00 -0.274 N ATOM 15 N LIG 1 2.416 4.673 -2.011 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 2.451 3.374 -1.702 0.00 0.00 +0.142 A ATOM 17 C LIG 1 3.052 3.125 -0.446 0.00 0.00 +0.020 A ATOM 18 C LIG 1 3.398 4.380 0.011 0.00 0.00 +0.116 A ENDBRANCH 7 17 ENDBRANCH 1 9 BRANCH 4 19 ATOM 19 C LIG 1 -1.216 -4.576 -0.052 0.00 0.00 +0.024 A ATOM 20 C LIG 1 -0.845 -5.845 -0.450 0.00 0.00 +0.116 A ATOM 21 N LIG 1 -2.000 -6.569 -0.543 0.00 0.00 -0.274 N ATOM 22 C LIG 1 -2.130 -7.954 -0.923 0.00 0.00 +0.172 C ATOM 23 N LIG 1 -3.101 -5.860 -0.240 0.00 0.00 -0.179 NA ATOM 24 C LIG 1 -2.623 -4.652 0.071 0.00 0.00 +0.143 A ENDBRANCH 4 19 BRANCH 3 25 ATOM 25 N LIG 1 -1.763 -1.863 -0.888 0.00 0.00 -0.324 N ATOM 26 H LIG 1 -1.814 -2.431 -1.731 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 -2.365 -0.539 -1.055 0.00 0.00 +0.092 C ATOM 28 C LIG 1 -2.868 0.123 0.266 0.00 0.00 +0.100 C ATOM 29 N LIG 1 -1.733 1.034 0.592 0.00 0.00 -0.173 NA ATOM 30 C LIG 1 -1.723 1.750 -0.710 0.00 0.00 +0.082 C ATOM 31 C LIG 1 -3.188 2.211 -0.875 0.00 0.00 +0.022 C ATOM 32 C LIG 1 -3.976 1.123 -0.122 0.00 0.00 +0.024 C ATOM 33 C LIG 1 -1.490 0.562 -1.681 0.00 0.00 +0.044 C BRANCH 29 34 ATOM 34 S LIG 1 -1.748 1.851 2.057 0.00 0.00 +0.030 S ATOM 35 O LIG 1 -2.055 0.891 3.096 0.00 0.00 -0.158 OA ATOM 36 O LIG 1 -2.525 3.064 1.920 0.00 0.00 -0.158 OA ATOM 37 C LIG 1 -0.043 2.312 2.240 0.00 0.00 +0.215 C ENDBRANCH 29 34 ENDBRANCH 25 27 ENDBRANCH 3 25 TORSDOF 6