REMARK Name = BDB008166 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.381 0.435 -0.203 0.00 0.00 +0.159 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 2.008 0.070 0.311 0.00 0.00 +0.234 C ATOM 3 N LIG 1 0.987 0.140 -0.610 0.00 0.00 -0.302 N ATOM 4 H LIG 1 1.081 -0.377 -1.479 0.00 0.00 +0.150 HD ATOM 5 O LIG 1 1.869 0.408 1.489 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 C LIG 1 3.337 -0.481 -0.247 0.00 0.00 +0.159 C BRANCH 6 7 ATOM 7 N LIG 1 4.413 0.004 0.611 0.00 0.00 -0.304 N ATOM 8 H LIG 1 4.345 -0.266 1.585 0.00 0.00 +0.149 HD ATOM 9 C LIG 1 4.962 1.246 0.375 0.00 0.00 +0.211 C ATOM 10 O LIG 1 4.709 1.925 -0.615 0.00 0.00 -0.276 OA ATOM 11 C LIG 1 5.891 1.718 1.460 0.00 0.00 +0.109 C ENDBRANCH 6 7 BRANCH 6 12 ATOM 12 C LIG 1 3.279 -2.014 -0.268 0.00 0.00 +0.031 C BRANCH 12 14 ATOM 13 C LIG 1 4.818 -2.349 -2.277 0.00 0.00 +0.004 C ATOM 14 C LIG 1 4.538 -2.689 -0.821 0.00 0.00 -0.001 C ENDBRANCH 12 14 ENDBRANCH 6 12 ENDBRANCH 2 6 ENDBRANCH 1 3 BRANCH 1 15 ATOM 15 C LIG 1 -1.240 -0.799 -0.554 0.00 0.00 +0.234 C ATOM 16 N LIG 1 -2.489 -0.814 0.033 0.00 0.00 -0.302 N ATOM 17 H LIG 1 -2.848 0.082 0.350 0.00 0.00 +0.150 HD ATOM 18 O LIG 1 -0.839 -1.687 -1.307 0.00 0.00 -0.274 OA BRANCH 16 19 ATOM 19 C LIG 1 -3.497 -1.781 -0.399 0.00 0.00 +0.161 C BRANCH 19 20 ATOM 20 C LIG 1 -4.222 -1.173 -1.619 0.00 0.00 +0.231 C ATOM 21 O LIG 1 -4.342 0.036 -1.804 0.00 0.00 -0.274 OA ATOM 22 N LIG 1 -4.782 -2.062 -2.492 0.00 0.00 -0.328 N ATOM 23 H LIG 1 -5.162 -1.657 -3.338 0.00 0.00 +0.145 HD ATOM 24 H LIG 1 -4.420 -3.004 -2.563 0.00 0.00 +0.145 HD ENDBRANCH 19 20 BRANCH 19 25 ATOM 25 C LIG 1 -4.446 -2.148 0.763 0.00 0.00 +0.012 C ATOM 26 C LIG 1 -5.290 -3.386 0.447 0.00 0.00 +0.009 C ATOM 27 C LIG 1 -5.356 -0.997 1.203 0.00 0.00 +0.009 C ENDBRANCH 19 25 ENDBRANCH 16 19 ENDBRANCH 1 15 BRANCH 1 28 ATOM 28 C LIG 1 -0.936 1.681 -0.896 0.00 0.00 +0.033 C BRANCH 28 29 ATOM 29 C LIG 1 -0.046 2.931 -0.953 0.00 0.00 +0.023 C BRANCH 29 30 ATOM 30 C LIG 1 0.782 3.342 0.268 0.00 0.00 +0.115 C BRANCH 30 31 ATOM 31 N LIG 1 0.234 2.939 1.546 0.00 0.00 -0.356 N ATOM 32 H LIG 1 0.699 2.108 1.914 0.00 0.00 +0.162 HD BRANCH 31 33 ATOM 33 C LIG 1 -0.988 3.219 2.034 0.00 0.00 +0.188 C ATOM 34 N LIG 1 -1.566 2.521 2.944 0.00 0.00 -0.269 NA ATOM 35 H LIG 1 -0.935 1.767 3.226 0.00 0.00 +0.190 HD BRANCH 33 36 ATOM 36 N LIG 1 -1.618 4.287 1.517 0.00 0.00 -0.370 N ATOM 37 H LIG 1 -1.018 5.098 1.453 0.00 0.00 +0.159 HD ATOM 38 H LIG 1 -2.444 4.493 2.070 0.00 0.00 +0.159 HD ENDBRANCH 33 36 ENDBRANCH 31 33 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 1 28 TORSDOF 15