REMARK Name = BDB024866 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.787 -3.286 0.034 0.00 0.00 +0.407 C ATOM 2 N LIG 1 5.222 -2.082 0.497 0.00 0.00 -0.234 N ATOM 3 C LIG 1 6.164 -1.204 1.217 0.00 0.00 +0.082 C ATOM 4 C LIG 1 7.168 -0.563 0.244 0.00 0.00 +0.028 C ATOM 5 C LIG 1 5.472 -0.151 2.078 0.00 0.00 +0.027 C ATOM 6 C LIG 1 4.512 0.660 1.234 0.00 0.00 +0.041 C ATOM 7 C LIG 1 3.538 -0.260 0.558 0.00 0.00 +0.002 A ATOM 8 C LIG 1 2.242 0.211 0.241 0.00 0.00 +0.094 A ATOM 9 N LIG 1 1.708 1.464 0.426 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 0.468 1.405 -0.016 0.00 0.00 +0.113 A ATOM 11 N LIG 1 0.180 0.141 -0.489 0.00 0.00 -0.319 N ATOM 12 C LIG 1 1.305 -0.639 -0.327 0.00 0.00 +0.070 A ATOM 13 C LIG 1 1.581 -1.978 -0.585 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.875 -2.431 -0.286 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.884 -1.599 0.231 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.863 -3.722 0.442 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 5.715 -5.089 -1.470 0.00 0.00 +0.282 C ATOM 18 O LIG 1 5.098 -3.904 -0.965 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 -1.062 -0.300 -1.111 0.00 0.00 +0.219 C BRANCH 19 20 ATOM 20 C LIG 1 -2.037 -0.923 -0.122 0.00 0.00 +0.235 C ATOM 21 N LIG 1 -3.326 -1.188 -0.594 0.00 0.00 -0.300 N ATOM 22 C LIG 1 -4.332 -1.681 0.343 0.00 0.00 +0.109 C ATOM 23 C LIG 1 -5.601 -0.841 0.263 0.00 0.00 +0.037 C ATOM 24 C LIG 1 -6.181 -0.798 -1.161 0.00 0.00 +0.094 C ATOM 25 C LIG 1 -5.201 -1.319 -2.223 0.00 0.00 +0.037 C ATOM 26 C LIG 1 -3.772 -0.863 -1.949 0.00 0.00 +0.109 C ATOM 27 O LIG 1 -1.704 -1.202 1.031 0.00 0.00 -0.274 OA BRANCH 24 28 ATOM 28 C LIG 1 -6.637 0.567 -1.493 0.00 0.00 +0.066 C ATOM 29 N LIG 1 -7.014 1.630 -1.767 0.00 0.00 -0.196 NA ENDBRANCH 24 28 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 30 ATOM 30 C LIG 1 -0.487 2.552 -0.007 0.00 0.00 +0.096 C BRANCH 30 31 ATOM 31 C LIG 1 -1.395 2.523 1.224 0.00 0.00 +0.132 C BRANCH 31 32 ATOM 32 N LIG 1 -2.510 3.462 1.101 0.00 0.00 -0.315 N ATOM 33 C LIG 1 -3.580 3.106 0.278 0.00 0.00 +0.251 A ATOM 34 O LIG 1 -3.637 2.058 -0.363 0.00 0.00 -0.268 OA ATOM 35 C LIG 1 -4.692 4.089 0.187 0.00 0.00 +0.070 A ATOM 36 C LIG 1 -4.616 5.250 0.849 0.00 0.00 +0.007 A ATOM 37 C LIG 1 -3.463 5.560 1.656 0.00 0.00 +0.018 A ATOM 38 C LIG 1 -2.461 4.678 1.760 0.00 0.00 +0.089 A ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 10 30 TORSDOF 7