REMARK Name = BDB000360 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.629 0.738 0.362 0.00 0.00 +0.025 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.880 0.776 -0.026 0.00 0.00 -0.003 C BRANCH 2 3 ATOM 3 C LIG 1 -1.112 0.480 -1.542 0.00 0.00 -0.014 C ATOM 4 C LIG 1 -2.214 1.375 -2.127 0.00 0.00 +0.007 C ATOM 5 C LIG 1 -1.423 -0.977 -1.893 0.00 0.00 +0.007 C ENDBRANCH 2 3 BRANCH 2 6 ATOM 6 C LIG 1 -1.758 -0.019 0.973 0.00 0.00 +0.039 C BRANCH 6 7 ATOM 7 C LIG 1 -3.196 0.447 1.059 0.00 0.00 -0.043 A ATOM 8 C LIG 1 -4.247 -0.400 0.673 0.00 0.00 +0.053 A ATOM 9 C LIG 1 -5.579 0.025 0.746 0.00 0.00 +0.162 A ATOM 10 C LIG 1 -5.874 1.313 1.234 0.00 0.00 +0.162 A ATOM 11 C LIG 1 -4.830 2.151 1.635 0.00 0.00 +0.049 A ATOM 12 C LIG 1 -3.504 1.720 1.551 0.00 0.00 +0.007 A BRANCH 10 13 ATOM 13 O LIG 1 -7.204 1.655 1.274 0.00 0.00 -0.491 OA ATOM 14 C LIG 1 -7.538 2.930 1.800 0.00 0.00 +0.277 C ENDBRANCH 10 13 BRANCH 9 15 ATOM 15 O LIG 1 -6.658 -0.739 0.377 0.00 0.00 -0.488 OA BRANCH 15 16 ATOM 16 C LIG 1 -6.405 -2.009 -0.222 0.00 0.00 +0.231 C BRANCH 16 17 ATOM 17 C LIG 1 -7.742 -2.624 -0.630 0.00 0.00 +0.069 C BRANCH 17 18 ATOM 18 C LIG 1 -8.416 -1.839 -1.748 0.00 0.00 +0.159 C BRANCH 18 19 ATOM 19 O LIG 1 -7.660 -1.973 -2.946 0.00 0.00 -0.395 OA ATOM 20 H LIG 1 -8.080 -1.394 -3.606 0.00 0.00 +0.209 HD ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 9 15 ENDBRANCH 6 7 ENDBRANCH 2 6 ENDBRANCH 1 2 BRANCH 1 21 ATOM 21 C LIG 1 1.451 -0.546 0.115 0.00 0.00 +0.080 C BRANCH 21 22 ATOM 22 N LIG 1 1.016 -1.643 0.981 0.00 0.00 -0.325 NA ATOM 23 H LIG 1 1.666 -2.427 0.913 0.00 0.00 +0.119 HD ATOM 24 H LIG 1 0.120 -2.008 0.667 0.00 0.00 +0.119 HD ENDBRANCH 21 22 BRANCH 21 25 ATOM 25 C LIG 1 2.993 -0.299 0.260 0.00 0.00 +0.132 C BRANCH 25 26 ATOM 26 O LIG 1 3.445 0.682 -0.683 0.00 0.00 -0.390 OA ATOM 27 H LIG 1 3.033 0.475 -1.540 0.00 0.00 +0.210 HD ENDBRANCH 25 26 BRANCH 25 28 ATOM 28 C LIG 1 3.441 0.107 1.675 0.00 0.00 +0.045 C BRANCH 28 29 ATOM 29 C LIG 1 4.906 0.569 1.804 0.00 0.00 +0.074 C ATOM 30 C LIG 1 5.212 0.924 3.262 0.00 0.00 +0.017 C BRANCH 29 33 ATOM 31 N LIG 1 6.049 -0.481 -0.062 0.00 0.00 -0.315 N ATOM 32 H LIG 1 5.519 0.202 -0.599 0.00 0.00 +0.149 HD ATOM 33 C LIG 1 5.893 -0.483 1.306 0.00 0.00 +0.216 C ATOM 34 O LIG 1 6.478 -1.267 2.047 0.00 0.00 -0.276 OA BRANCH 31 35 ATOM 35 C LIG 1 6.984 -1.347 -0.743 0.00 0.00 +0.104 C BRANCH 35 36 ATOM 36 C LIG 1 8.409 -0.793 -0.737 0.00 0.00 +0.018 C BRANCH 36 38 ATOM 37 C LIG 1 8.206 0.578 -2.882 0.00 0.00 +0.004 C ATOM 38 C LIG 1 8.569 0.576 -1.405 0.00 0.00 -0.002 C ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 31 35 ENDBRANCH 29 33 ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 21 25 ENDBRANCH 1 21 TORSDOF 20