REMARK Name = BDB052353 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.984 -5.372 0.073 0.00 0.00 -0.271 N ATOM 2 N LIG 1 2.177 -4.809 -0.174 0.00 0.00 -0.171 NA ATOM 3 C LIG 1 2.084 -3.571 0.346 0.00 0.00 +0.100 A ATOM 4 C LIG 1 0.805 -3.380 0.958 0.00 0.00 +0.028 A ATOM 5 C LIG 1 0.131 -4.566 0.761 0.00 0.00 +0.117 A ENDROOT BRANCH 4 6 ATOM 6 C LIG 1 0.255 -2.280 1.718 0.00 0.00 -0.002 A ATOM 7 C LIG 1 -0.941 -1.659 1.310 0.00 0.00 +0.027 A ATOM 8 C LIG 1 -1.397 -0.607 2.093 0.00 0.00 +0.139 A ATOM 9 N LIG 1 -2.554 -0.137 1.540 0.00 0.00 -0.339 N ATOM 10 H LIG 1 -3.092 0.616 1.942 0.00 0.00 +0.167 HD ATOM 11 C LIG 1 -2.871 -0.839 0.397 0.00 0.00 +0.049 A ATOM 12 N LIG 1 -0.832 -0.104 3.205 0.00 0.00 -0.237 NA ATOM 13 C LIG 1 0.316 -0.732 3.545 0.00 0.00 +0.114 A ATOM 14 C LIG 1 -1.877 -1.796 0.244 0.00 0.00 +0.038 A ATOM 15 C LIG 1 0.892 -1.793 2.863 0.00 0.00 +0.029 A BRANCH 11 16 ATOM 16 C LIG 1 -4.058 -0.560 -0.410 0.00 0.00 -0.001 A ATOM 17 C LIG 1 -4.517 0.754 -0.592 0.00 0.00 +0.015 A ATOM 18 C LIG 1 -5.660 1.025 -1.363 0.00 0.00 -0.033 A ATOM 19 C LIG 1 -6.338 -0.043 -1.966 0.00 0.00 +0.005 A ATOM 20 C LIG 1 -5.890 -1.352 -1.796 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -4.755 -1.607 -1.024 0.00 0.00 +0.010 A BRANCH 18 22 ATOM 22 C LIG 1 -6.121 2.453 -1.578 0.00 0.00 +0.119 C BRANCH 22 23 ATOM 23 N LIG 1 -7.549 2.654 -1.288 0.00 0.00 -0.294 NA ATOM 24 C LIG 1 -8.006 3.950 -1.837 0.00 0.00 +0.113 C ATOM 25 C LIG 1 -9.272 4.453 -1.131 0.00 0.00 +0.175 C ATOM 26 O LIG 1 -9.049 4.738 0.258 0.00 0.00 -0.377 OA ATOM 27 C LIG 1 -8.027 3.919 0.843 0.00 0.00 +0.175 C ATOM 28 C LIG 1 -7.870 2.555 0.152 0.00 0.00 +0.113 C ENDBRANCH 22 23 ENDBRANCH 18 22 ENDBRANCH 11 16 ENDBRANCH 4 6 BRANCH 3 29 ATOM 29 C LIG 1 3.212 -2.640 0.250 0.00 0.00 +0.003 A ATOM 30 C LIG 1 3.014 -1.267 0.068 0.00 0.00 +0.012 A ATOM 31 C LIG 1 4.104 -0.388 -0.011 0.00 0.00 +0.024 A ATOM 32 C LIG 1 5.411 -0.867 0.075 0.00 0.00 +0.035 A ATOM 33 C LIG 1 5.613 -2.241 0.247 0.00 0.00 +0.024 A ATOM 34 C LIG 1 4.526 -3.119 0.330 0.00 0.00 +0.012 A BRANCH 32 35 ATOM 35 N LIG 1 6.559 -0.051 0.014 0.00 0.00 -0.269 N ATOM 36 H LIG 1 7.442 -0.534 0.054 0.00 0.00 +0.156 HD ATOM 37 C LIG 1 6.622 1.306 -0.275 0.00 0.00 +0.308 C ATOM 38 N LIG 1 7.926 1.762 -0.123 0.00 0.00 -0.269 N ATOM 39 H LIG 1 8.552 1.151 0.376 0.00 0.00 +0.156 HD ATOM 40 O LIG 1 5.671 1.998 -0.610 0.00 0.00 -0.252 OA BRANCH 38 41 ATOM 41 C LIG 1 8.427 3.049 -0.415 0.00 0.00 +0.035 A ATOM 42 C LIG 1 7.700 4.039 -1.077 0.00 0.00 +0.023 A ATOM 43 C LIG 1 8.275 5.287 -1.337 0.00 0.00 +0.002 A ATOM 44 C LIG 1 9.583 5.554 -0.941 0.00 0.00 +0.000 A ATOM 45 C LIG 1 10.320 4.572 -0.286 0.00 0.00 +0.002 A ATOM 46 C LIG 1 9.745 3.325 -0.026 0.00 0.00 +0.023 A ENDBRANCH 38 41 ENDBRANCH 32 35 ENDBRANCH 3 29 BRANCH 1 48 ATOM 47 C LIG 1 1.270 -7.765 0.582 0.00 0.00 +0.029 C ATOM 48 C LIG 1 0.721 -6.725 -0.378 0.00 0.00 +0.140 C ENDBRANCH 1 48 TORSDOF 8