REMARK Name = BDB027976 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.977 -2.214 0.928 0.00 0.00 +0.106 C ATOM 2 N LIG 1 -1.787 -0.790 0.636 0.00 0.00 -0.289 NA ENDROOT BRANCH 2 3 ATOM 3 C LIG 1 -3.055 -0.081 0.319 0.00 0.00 +0.144 C ATOM 4 C LIG 1 -3.919 0.071 1.594 0.00 0.00 +0.236 C ATOM 5 O LIG 1 -3.474 0.090 2.740 0.00 0.00 -0.274 OA ATOM 6 N LIG 1 -5.270 0.251 1.391 0.00 0.00 -0.255 N ATOM 7 H LIG 1 -5.824 0.374 2.227 0.00 0.00 +0.158 HD ATOM 8 C LIG 1 -5.953 0.297 0.203 0.00 0.00 +0.219 C ATOM 9 O LIG 1 -7.162 0.504 0.173 0.00 0.00 -0.275 OA ATOM 10 C LIG 1 -5.130 0.144 -1.052 0.00 0.00 +0.098 C ATOM 11 C LIG 1 -3.898 -0.713 -0.798 0.00 0.00 +0.037 C ENDBRANCH 2 3 BRANCH 2 12 ATOM 12 C LIG 1 -0.792 -0.632 -0.448 0.00 0.00 +0.092 C ATOM 13 C LIG 1 -0.284 0.829 -0.538 0.00 0.00 +0.131 C ATOM 14 N LIG 1 1.052 0.251 -0.589 0.00 0.00 -0.264 N ATOM 15 C LIG 1 2.230 0.925 -0.437 0.00 0.00 +0.403 C ATOM 16 O LIG 1 2.352 2.126 -0.640 0.00 0.00 -0.226 OA ATOM 17 C LIG 1 0.630 -0.985 0.060 0.00 0.00 +0.131 C BRANCH 15 18 ATOM 18 O LIG 1 3.223 0.086 -0.049 0.00 0.00 -0.445 OA BRANCH 18 19 ATOM 19 C LIG 1 4.567 0.579 0.178 0.00 0.00 +0.107 C ATOM 20 C LIG 1 5.180 1.142 -1.109 0.00 0.00 +0.055 C ATOM 21 C LIG 1 5.370 -0.662 0.600 0.00 0.00 +0.055 C ATOM 22 C LIG 1 4.602 1.597 1.323 0.00 0.00 +0.055 C ENDBRANCH 18 19 ENDBRANCH 15 18 ENDBRANCH 2 12 TORSDOF 4