REMARK Name = BDB047476 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -6.365 0.901 0.141 0.00 0.00 +0.128 A ATOM 2 C LIG 1 -5.360 -0.083 0.333 0.00 0.00 +0.053 A ATOM 3 C LIG 1 -4.080 0.365 1.006 0.00 0.00 +0.144 C ATOM 4 N LIG 1 -3.130 -0.677 1.396 0.00 0.00 -0.333 N ATOM 5 H LIG 1 -2.364 -0.310 1.956 0.00 0.00 +0.147 HD ATOM 6 C LIG 1 -2.641 -1.409 0.295 0.00 0.00 +0.131 A ATOM 7 C LIG 1 -3.465 -2.237 -0.451 0.00 0.00 +0.247 A ATOM 8 O LIG 1 -4.759 -2.456 -0.030 0.00 0.00 -0.436 OA ATOM 9 N LIG 1 -3.066 -2.974 -1.503 0.00 0.00 -0.199 NA ATOM 10 C LIG 1 -1.780 -2.836 -1.830 0.00 0.00 +0.227 A ATOM 11 N LIG 1 -0.884 -2.047 -1.216 0.00 0.00 -0.218 NA ATOM 12 C LIG 1 -1.323 -1.327 -0.167 0.00 0.00 +0.151 A ATOM 13 C LIG 1 -5.617 -1.385 -0.128 0.00 0.00 +0.139 A ATOM 14 C LIG 1 -6.853 -1.709 -0.703 0.00 0.00 +0.047 A ATOM 15 C LIG 1 -7.833 -0.739 -0.869 0.00 0.00 +0.007 A ATOM 16 C LIG 1 -7.588 0.567 -0.455 0.00 0.00 +0.046 A ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 -7.034 3.181 0.438 0.00 0.00 +0.277 C ATOM 18 O LIG 1 -6.043 2.167 0.571 0.00 0.00 -0.495 OA ENDBRANCH 1 18 BRANCH 12 19 ATOM 19 N LIG 1 -0.441 -0.432 0.503 0.00 0.00 -0.295 N ATOM 20 H LIG 1 -0.890 0.478 0.550 0.00 0.00 +0.154 HD BRANCH 19 21 ATOM 21 C LIG 1 0.951 -0.326 0.348 0.00 0.00 +0.069 A ATOM 22 C LIG 1 1.636 0.815 0.725 0.00 0.00 +0.139 A ATOM 23 N LIG 1 2.976 0.967 0.673 0.00 0.00 -0.221 NA ATOM 24 C LIG 1 3.684 -0.080 0.244 0.00 0.00 +0.222 A ATOM 25 N LIG 1 3.146 -1.256 -0.106 0.00 0.00 -0.221 NA ATOM 26 C LIG 1 1.795 -1.351 -0.035 0.00 0.00 +0.139 A BRANCH 24 27 ATOM 27 N LIG 1 5.065 -0.044 0.147 0.00 0.00 -0.250 N ATOM 28 H LIG 1 5.445 -0.908 -0.201 0.00 0.00 +0.158 HD ATOM 29 C LIG 1 5.868 1.041 0.387 0.00 0.00 +0.250 C ATOM 30 O LIG 1 5.511 2.177 0.674 0.00 0.00 -0.270 OA BRANCH 29 31 ATOM 31 C LIG 1 7.329 0.780 0.233 0.00 0.00 +0.037 A ATOM 32 C LIG 1 8.145 1.817 -0.236 0.00 0.00 +0.013 A ATOM 33 C LIG 1 9.517 1.613 -0.397 0.00 0.00 +0.001 A ATOM 34 C LIG 1 10.079 0.377 -0.079 0.00 0.00 +0.000 A ATOM 35 C LIG 1 9.275 -0.654 0.406 0.00 0.00 +0.001 A ATOM 36 C LIG 1 7.902 -0.455 0.568 0.00 0.00 +0.013 A ENDBRANCH 29 31 ENDBRANCH 24 27 ENDBRANCH 19 21 ENDBRANCH 12 19 TORSDOF 5