REMARK Name = BDB016078 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.704 0.412 0.289 0.00 0.00 +0.162 A ATOM 2 N LIG 1 -0.574 0.029 0.110 0.00 0.00 -0.212 NA ATOM 3 C LIG 1 -1.554 0.866 0.507 0.00 0.00 +0.131 A ATOM 4 C LIG 1 -1.275 2.088 1.118 0.00 0.00 +0.043 A ATOM 5 C LIG 1 0.069 2.383 1.255 0.00 0.00 +0.125 A ATOM 6 N LIG 1 1.070 1.579 0.847 0.00 0.00 -0.235 NA ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 4.163 -1.024 -0.461 0.00 0.00 -0.014 A ATOM 8 C LIG 1 3.135 -0.165 -0.035 0.00 0.00 +0.020 A ATOM 9 C LIG 1 1.771 -0.505 -0.162 0.00 0.00 +0.020 A ATOM 10 C LIG 1 1.472 -1.753 -0.737 0.00 0.00 +0.011 A ATOM 11 C LIG 1 2.480 -2.620 -1.164 0.00 0.00 +0.001 A ATOM 12 C LIG 1 3.818 -2.256 -1.025 0.00 0.00 +0.008 A BRANCH 7 17 ATOM 13 C LIG 1 9.064 -0.554 -1.129 0.00 0.00 +0.172 C ATOM 14 N LIG 1 7.720 -0.433 -0.619 0.00 0.00 -0.274 N ATOM 15 N LIG 1 7.485 0.360 0.440 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 6.168 0.241 0.630 0.00 0.00 +0.142 A ATOM 17 C LIG 1 5.554 -0.629 -0.302 0.00 0.00 +0.020 A ATOM 18 C LIG 1 6.600 -1.045 -1.101 0.00 0.00 +0.116 A ENDBRANCH 7 17 ENDBRANCH 1 9 BRANCH 4 19 ATOM 19 C LIG 1 -2.289 3.001 1.607 0.00 0.00 +0.024 A ATOM 20 C LIG 1 -2.257 4.374 1.463 0.00 0.00 +0.116 A ATOM 21 N LIG 1 -3.394 4.846 2.054 0.00 0.00 -0.274 N ATOM 22 C LIG 1 -3.813 6.223 2.159 0.00 0.00 +0.172 C ATOM 23 N LIG 1 -4.169 3.878 2.571 0.00 0.00 -0.179 NA ATOM 24 C LIG 1 -3.492 2.757 2.309 0.00 0.00 +0.143 A ENDBRANCH 4 19 BRANCH 3 25 ATOM 25 N LIG 1 -2.897 0.454 0.314 0.00 0.00 -0.323 N ATOM 26 H LIG 1 -3.421 1.233 -0.079 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 -3.253 -0.759 -0.257 0.00 0.00 +0.035 C ATOM 28 C LIG 1 -4.712 -1.226 -0.444 0.00 0.00 +0.034 C ATOM 29 C LIG 1 -3.847 -2.420 -1.038 0.00 0.00 -0.011 C ATOM 30 C LIG 1 -2.983 -1.248 -1.686 0.00 0.00 +0.034 C ATOM 31 C LIG 1 -2.930 -2.174 0.243 0.00 0.00 +0.034 C BRANCH 29 32 ATOM 32 C LIG 1 -4.275 -3.687 -1.677 0.00 0.00 +0.084 C BRANCH 32 33 ATOM 33 N LIG 1 -5.084 -4.470 -0.752 0.00 0.00 -0.329 NA ATOM 34 H LIG 1 -4.518 -4.740 0.053 0.00 0.00 +0.118 HD ATOM 35 H LIG 1 -5.364 -5.341 -1.202 0.00 0.00 +0.118 HD ENDBRANCH 32 33 ENDBRANCH 29 32 ENDBRANCH 25 27 ENDBRANCH 3 25 TORSDOF 7