REMARK Name = BDB042092 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.134 1.660 -0.226 0.00 0.00 +0.119 C ENDROOT BRANCH 1 8 ATOM 2 N LIG 1 5.433 -0.763 -0.655 0.00 0.00 -0.282 N ATOM 3 C LIG 1 4.575 -1.290 -1.609 0.00 0.00 +0.248 C ATOM 4 O LIG 1 4.826 -2.111 -2.469 0.00 0.00 -0.270 OA ATOM 5 C LIG 1 3.271 -0.649 -1.406 0.00 0.00 +0.042 A ATOM 6 C LIG 1 3.376 0.212 -0.316 0.00 0.00 -0.018 A ATOM 7 C LIG 1 2.287 0.963 0.086 0.00 0.00 +0.010 A ATOM 8 C LIG 1 1.077 0.832 -0.622 0.00 0.00 -0.033 A ATOM 9 C LIG 1 0.997 -0.053 -1.724 0.00 0.00 +0.005 A ATOM 10 C LIG 1 2.103 -0.806 -2.125 0.00 0.00 +0.014 A ATOM 11 C LIG 1 4.749 0.142 0.263 0.00 0.00 +0.144 C BRANCH 2 18 ATOM 12 O LIG 1 9.097 2.227 -0.212 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 8.525 1.148 -0.345 0.00 0.00 +0.219 C ATOM 14 N LIG 1 8.327 0.322 0.732 0.00 0.00 -0.255 N ATOM 15 H LIG 1 8.677 0.668 1.615 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 7.462 -0.744 0.816 0.00 0.00 +0.240 C ATOM 17 O LIG 1 7.137 -1.187 1.917 0.00 0.00 -0.273 OA ATOM 18 C LIG 1 6.816 -1.212 -0.496 0.00 0.00 +0.163 C ATOM 19 C LIG 1 7.702 -0.800 -1.677 0.00 0.00 +0.041 C ATOM 20 C LIG 1 7.941 0.702 -1.663 0.00 0.00 +0.098 C ENDBRANCH 2 18 ENDBRANCH 1 8 BRANCH 1 21 ATOM 21 N LIG 1 -0.493 1.532 1.199 0.00 0.00 -0.296 NA ATOM 22 C LIG 1 -0.963 0.168 1.529 0.00 0.00 +0.100 C ATOM 23 C LIG 1 -2.281 -0.264 0.833 0.00 0.00 +0.101 C ATOM 24 N LIG 1 -3.186 0.857 0.520 0.00 0.00 -0.288 NA ATOM 25 C LIG 1 -3.028 1.953 1.482 0.00 0.00 +0.101 C ATOM 26 C LIG 1 -1.570 2.490 1.545 0.00 0.00 +0.100 C BRANCH 24 27 ATOM 27 C LIG 1 -4.598 0.469 0.280 0.00 0.00 +0.136 C BRANCH 27 28 ATOM 28 C LIG 1 -5.461 0.082 1.504 0.00 0.00 +0.063 A ATOM 29 N LIG 1 -4.872 -0.463 2.605 0.00 0.00 -0.258 NA ATOM 30 C LIG 1 -5.665 -0.799 3.646 0.00 0.00 +0.111 A ATOM 31 C LIG 1 -7.037 -0.630 3.655 0.00 0.00 +0.020 A ATOM 32 C LIG 1 -7.637 -0.089 2.526 0.00 0.00 +0.003 A ATOM 33 C LIG 1 -6.846 0.269 1.438 0.00 0.00 +0.025 A ENDBRANCH 27 28 BRANCH 27 34 ATOM 34 C LIG 1 -4.718 -0.511 -0.896 0.00 0.00 -0.024 A ATOM 35 C LIG 1 -4.601 -0.026 -2.212 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -4.684 -0.891 -3.304 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -4.876 -2.256 -3.099 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -4.976 -2.757 -1.802 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -4.891 -1.893 -0.708 0.00 0.00 +0.005 A ENDBRANCH 27 34 ENDBRANCH 24 27 ENDBRANCH 1 21 TORSDOF 6