REMARK Name = BDB010446 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.478 -1.375 -0.457 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.271 -1.029 0.148 0.00 0.00 +0.129 A ATOM 3 C LIG 1 0.245 -1.835 1.150 0.00 0.00 +0.185 A ATOM 4 N LIG 1 1.436 -1.370 1.612 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 1.734 -0.351 0.841 0.00 0.00 +0.201 A ATOM 6 N LIG 1 -0.343 -2.951 1.608 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 -1.479 -3.229 0.959 0.00 0.00 +0.201 A ATOM 8 N LIG 1 0.663 -0.020 0.025 0.00 0.00 -0.307 N ATOM 9 N LIG 1 -2.053 -2.517 -0.028 0.00 0.00 -0.208 NA ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 2.897 0.358 0.853 0.00 0.00 -0.289 N ATOM 11 C LIG 1 3.885 0.084 -0.238 0.00 0.00 +0.132 C ATOM 12 C LIG 1 5.041 1.124 -0.149 0.00 0.00 +0.187 C ATOM 13 O LIG 1 5.642 1.217 1.156 0.00 0.00 -0.376 OA ATOM 14 C LIG 1 4.652 1.498 2.154 0.00 0.00 +0.179 C ATOM 15 C LIG 1 3.552 0.429 2.180 0.00 0.00 +0.136 C BRANCH 11 16 ATOM 16 C LIG 1 4.346 -1.374 -0.308 0.00 0.00 -0.025 A ATOM 17 C LIG 1 5.483 -1.851 0.362 0.00 0.00 +0.005 A ATOM 18 C LIG 1 5.869 -3.191 0.261 0.00 0.00 +0.000 A ATOM 19 C LIG 1 5.124 -4.078 -0.510 0.00 0.00 +0.000 A ATOM 20 C LIG 1 3.991 -3.629 -1.180 0.00 0.00 +0.000 A ATOM 21 C LIG 1 3.607 -2.290 -1.081 0.00 0.00 +0.005 A ENDBRANCH 11 16 ENDBRANCH 5 10 BRANCH 7 22 ATOM 22 C LIG 1 -2.158 -4.443 1.386 0.00 0.00 +0.199 A ATOM 23 N LIG 1 -1.645 -5.268 2.358 0.00 0.00 -0.325 N ATOM 24 H LIG 1 -0.776 -5.111 2.848 0.00 0.00 +0.168 HD ATOM 25 C LIG 1 -2.525 -6.292 2.505 0.00 0.00 +0.222 A ATOM 26 N LIG 1 -3.530 -6.126 1.679 0.00 0.00 -0.138 NA ATOM 27 N LIG 1 -3.301 -4.964 0.973 0.00 0.00 -0.126 NA ENDBRANCH 7 22 BRANCH 1 28 ATOM 28 N LIG 1 -2.080 -0.616 -1.460 0.00 0.00 -0.324 N ATOM 29 H LIG 1 -2.090 0.362 -1.198 0.00 0.00 +0.148 HD BRANCH 28 31 ATOM 30 C LIG 1 -3.148 -2.139 -3.047 0.00 0.00 +0.028 C ATOM 31 C LIG 1 -3.384 -1.085 -1.960 0.00 0.00 +0.072 C BRANCH 31 32 ATOM 32 C LIG 1 -4.148 0.106 -2.575 0.00 0.00 +0.009 C ATOM 33 C LIG 1 -5.637 -0.123 -2.965 0.00 0.00 +0.005 C ATOM 34 C LIG 1 -6.034 0.456 -1.596 0.00 0.00 +0.001 C ATOM 35 C LIG 1 -4.673 1.173 -1.570 0.00 0.00 +0.005 C ENDBRANCH 31 32 ENDBRANCH 28 31 ENDBRANCH 1 28 BRANCH 8 36 ATOM 36 C LIG 1 0.573 1.148 -0.829 0.00 0.00 +0.128 C BRANCH 36 37 ATOM 37 C LIG 1 0.088 2.462 -0.175 0.00 0.00 +0.009 C ATOM 38 C LIG 1 1.080 3.050 0.833 0.00 0.00 +0.005 C ATOM 39 C LIG 1 0.694 4.477 1.238 0.00 0.00 +0.003 C ATOM 40 C LIG 1 -0.819 4.693 1.427 0.00 0.00 -0.014 C ATOM 41 C LIG 1 -1.413 5.542 0.299 0.00 0.00 +0.007 C ATOM 42 C LIG 1 -1.565 3.365 1.581 0.00 0.00 +0.003 C ATOM 43 C LIG 1 -1.325 2.384 0.429 0.00 0.00 +0.005 C ENDBRANCH 36 37 ENDBRANCH 8 36 TORSDOF 8