REMARK Name = BDB020826 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.370 -0.515 0.329 0.00 0.00 +0.041 A ATOM 2 C LIG 1 1.111 0.690 0.502 0.00 0.00 +0.172 A ATOM 3 N LIG 1 2.471 0.625 0.318 0.00 0.00 -0.253 N ATOM 4 C LIG 1 2.923 1.902 0.474 0.00 0.00 +0.232 A ATOM 5 N LIG 1 1.924 2.695 0.786 0.00 0.00 -0.137 NA ATOM 6 C LIG 1 3.145 -0.555 -0.007 0.00 0.00 +0.203 A ATOM 7 N LIG 1 2.466 -1.653 -0.203 0.00 0.00 -0.223 NA ATOM 8 N LIG 1 0.778 1.930 0.805 0.00 0.00 -0.129 NA ATOM 9 C LIG 1 1.096 -1.599 -0.032 0.00 0.00 +0.126 A ENDROOT BRANCH 1 15 ATOM 10 O LIG 1 -5.771 -1.253 1.990 0.00 0.00 -0.274 OA ATOM 11 C LIG 1 -5.263 -0.471 1.179 0.00 0.00 +0.230 C ATOM 12 N LIG 1 -3.916 -0.549 0.827 0.00 0.00 -0.296 N ATOM 13 C LIG 1 -3.365 0.079 -0.374 0.00 0.00 +0.113 C ATOM 14 C LIG 1 -1.904 0.489 -0.181 0.00 0.00 +0.054 C ATOM 15 C LIG 1 -1.087 -0.599 0.471 0.00 0.00 -0.036 C ATOM 16 C LIG 1 -1.705 -1.578 1.160 0.00 0.00 -0.004 C ATOM 17 C LIG 1 -3.188 -1.694 1.355 0.00 0.00 +0.135 C BRANCH 11 18 ATOM 18 C LIG 1 -6.128 0.630 0.550 0.00 0.00 +0.180 C BRANCH 18 19 ATOM 19 N LIG 1 -6.494 0.305 -0.848 0.00 0.00 -0.290 NA ATOM 20 C LIG 1 -7.352 -0.900 -0.945 0.00 0.00 +0.113 C ATOM 21 C LIG 1 -8.798 -0.687 -0.466 0.00 0.00 +0.175 C ATOM 22 O LIG 1 -9.419 0.401 -1.162 0.00 0.00 -0.377 OA ATOM 23 C LIG 1 -8.665 1.607 -0.996 0.00 0.00 +0.175 C ATOM 24 C LIG 1 -7.215 1.433 -1.479 0.00 0.00 +0.113 C ENDBRANCH 18 19 ENDBRANCH 11 18 ENDBRANCH 1 15 BRANCH 6 25 ATOM 25 N LIG 1 4.515 -0.575 -0.154 0.00 0.00 -0.310 N ATOM 26 H LIG 1 4.753 -1.468 -0.589 0.00 0.00 +0.149 HD BRANCH 25 27 ATOM 27 C LIG 1 5.361 -0.429 1.032 0.00 0.00 +0.143 C BRANCH 27 28 ATOM 28 C LIG 1 6.804 -0.602 0.656 0.00 0.00 +0.012 A ATOM 29 C LIG 1 7.467 0.264 -0.209 0.00 0.00 +0.005 A ATOM 30 C LIG 1 6.963 1.434 -0.969 0.00 0.00 +0.080 C ATOM 31 C LIG 1 8.295 2.024 -1.434 0.00 0.00 +0.234 C ATOM 32 O LIG 1 9.301 0.986 -1.421 0.00 0.00 -0.491 OA ATOM 33 C LIG 1 8.801 0.060 -0.544 0.00 0.00 +0.124 A ATOM 34 C LIG 1 9.534 -0.998 -0.044 0.00 0.00 +0.049 A ATOM 35 C LIG 1 8.896 -1.870 0.836 0.00 0.00 +0.042 A ATOM 36 C LIG 1 7.552 -1.667 1.177 0.00 0.00 +0.129 A ATOM 37 F LIG 1 6.973 -2.531 2.023 0.00 0.00 -0.205 F ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 6 25 TORSDOF 6