REMARK Name = BDB028368 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.254 0.704 -2.688 0.00 0.00 +0.078 A ATOM 2 N LIG 1 -0.123 1.229 -3.957 0.00 0.00 -0.266 N ATOM 3 C LIG 1 0.852 2.194 -4.414 0.00 0.00 +0.173 C ATOM 4 N LIG 1 -1.024 0.751 -4.835 0.00 0.00 -0.179 NA ATOM 5 C LIG 1 -1.719 -0.138 -4.128 0.00 0.00 +0.143 A ATOM 6 C LIG 1 -1.302 -0.203 -2.782 0.00 0.00 +0.027 A ENDROOT BRANCH 6 7 ATOM 7 C LIG 1 -1.794 -1.034 -1.702 0.00 0.00 -0.014 A ATOM 8 C LIG 1 -2.250 -0.456 -0.508 0.00 0.00 +0.019 A ATOM 9 C LIG 1 -2.709 -1.267 0.538 0.00 0.00 +0.012 A ATOM 10 C LIG 1 -2.721 -2.651 0.381 0.00 0.00 +0.050 A ATOM 11 C LIG 1 -3.211 -3.493 1.484 0.00 0.00 +0.272 A ATOM 12 N LIG 1 -3.625 -2.830 2.612 0.00 0.00 -0.242 N ATOM 13 H LIG 1 -3.967 -3.396 3.383 0.00 0.00 +0.192 HD ATOM 14 N LIG 1 -3.620 -1.482 2.800 0.00 0.00 -0.174 NA ATOM 15 O LIG 1 -3.245 -4.715 1.388 0.00 0.00 -0.266 OA ATOM 16 C LIG 1 -2.276 -3.235 -0.810 0.00 0.00 +0.014 A ATOM 17 C LIG 1 -3.189 -0.723 1.833 0.00 0.00 +0.083 A ATOM 18 C LIG 1 -1.814 -2.426 -1.849 0.00 0.00 +0.009 A BRANCH 17 19 ATOM 19 C LIG 1 -3.174 0.796 2.034 0.00 0.00 +0.136 C BRANCH 19 20 ATOM 20 N LIG 1 -3.656 1.157 3.372 0.00 0.00 -0.325 NA ATOM 21 H LIG 1 -3.082 0.653 4.053 0.00 0.00 +0.119 HD ATOM 22 H LIG 1 -4.578 0.730 3.492 0.00 0.00 +0.119 HD ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 6 7 BRANCH 1 29 ATOM 23 C LIG 1 4.101 0.198 1.778 0.00 0.00 +0.139 A ATOM 24 C LIG 1 3.371 -0.239 0.676 0.00 0.00 +0.058 A ATOM 25 C LIG 1 2.371 0.571 0.086 0.00 0.00 +0.022 A ATOM 26 C LIG 1 2.163 1.835 0.677 0.00 0.00 +0.072 A ATOM 27 C LIG 1 1.198 2.676 0.148 0.00 0.00 +0.029 A ATOM 28 C LIG 1 0.422 2.309 -0.952 0.00 0.00 +0.013 A ATOM 29 C LIG 1 0.606 1.063 -1.556 0.00 0.00 +0.019 A ATOM 30 N LIG 1 2.859 2.270 1.737 0.00 0.00 -0.251 NA ATOM 31 C LIG 1 1.584 0.190 -1.039 0.00 0.00 +0.070 A ATOM 32 C LIG 1 3.804 1.456 2.266 0.00 0.00 +0.157 A BRANCH 23 34 ATOM 33 C LIG 1 5.781 -0.255 3.390 0.00 0.00 +0.277 C ATOM 34 O LIG 1 5.033 -0.674 2.254 0.00 0.00 -0.494 OA ENDBRANCH 23 34 BRANCH 31 35 ATOM 35 C LIG 1 1.795 -1.092 -1.658 0.00 0.00 +0.100 C ATOM 36 N LIG 1 1.979 -2.128 -2.148 0.00 0.00 -0.191 NA ENDBRANCH 31 35 ENDBRANCH 1 29 TORSDOF 6