REMARK Name = BDB011975 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.036 1.228 -0.979 0.00 0.00 +0.177 C ATOM 2 C LIG 1 -1.434 1.128 -0.630 0.00 0.00 +0.242 C ATOM 3 O LIG 1 -2.072 2.174 -0.438 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -2.021 -0.134 -0.526 0.00 0.00 -0.264 N ATOM 5 C LIG 1 -1.432 -1.368 -1.027 0.00 0.00 +0.058 A ATOM 6 C LIG 1 -0.053 -1.745 -0.985 0.00 0.00 +0.058 A ATOM 7 C LIG 1 0.277 -3.062 -1.403 0.00 0.00 +0.025 A ATOM 8 C LIG 1 -0.652 -3.952 -1.937 0.00 0.00 +0.002 A ATOM 9 C LIG 1 -1.962 -3.555 -2.068 0.00 0.00 +0.002 A ATOM 10 N LIG 1 1.046 -0.939 -0.481 0.00 0.00 -0.263 N ATOM 11 C LIG 1 2.383 -1.189 -0.878 0.00 0.00 +0.251 C ATOM 12 O LIG 1 2.733 -1.812 -1.879 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 -2.334 -2.289 -1.621 0.00 0.00 +0.025 A ATOM 14 C LIG 1 0.750 0.378 0.061 0.00 0.00 +0.145 C ENDROOT BRANCH 11 15 ATOM 15 C LIG 1 3.476 -0.677 -0.011 0.00 0.00 +0.037 A ATOM 16 C LIG 1 3.452 -0.895 1.371 0.00 0.00 +0.014 A ATOM 17 C LIG 1 4.490 -0.403 2.166 0.00 0.00 +0.014 A ATOM 18 C LIG 1 5.562 0.289 1.582 0.00 0.00 +0.037 A ATOM 19 C LIG 1 5.585 0.495 0.196 0.00 0.00 +0.014 A ATOM 20 C LIG 1 4.548 0.002 -0.600 0.00 0.00 +0.014 A BRANCH 18 21 ATOM 21 C LIG 1 6.634 0.804 2.474 0.00 0.00 +0.242 C ATOM 22 O LIG 1 6.440 0.985 3.669 0.00 0.00 -0.270 OA ATOM 23 N LIG 1 7.861 1.037 1.919 0.00 0.00 -0.325 N ATOM 24 H LIG 1 8.604 1.263 2.569 0.00 0.00 +0.145 HD ATOM 25 H LIG 1 8.132 0.642 1.030 0.00 0.00 +0.145 HD ENDBRANCH 18 21 ENDBRANCH 11 15 BRANCH 1 27 ATOM 26 C LIG 1 1.643 3.080 -1.365 0.00 0.00 +0.230 C ATOM 27 N LIG 1 0.424 2.641 -0.908 0.00 0.00 -0.301 N ATOM 28 H LIG 1 -0.324 3.305 -0.716 0.00 0.00 +0.150 HD ATOM 29 O LIG 1 2.501 2.309 -1.788 0.00 0.00 -0.274 OA BRANCH 26 30 ATOM 30 C LIG 1 1.840 4.609 -1.296 0.00 0.00 +0.137 C ATOM 31 C LIG 1 1.148 5.255 -2.493 0.00 0.00 +0.034 C BRANCH 30 33 ATOM 32 C LIG 1 3.926 4.668 -0.048 0.00 0.00 +0.101 C ATOM 33 N LIG 1 3.277 4.955 -1.323 0.00 0.00 -0.309 NA ATOM 34 H LIG 1 3.716 4.372 -2.043 0.00 0.00 +0.122 HD ENDBRANCH 30 33 ENDBRANCH 26 30 ENDBRANCH 1 27 BRANCH 4 35 ATOM 35 C LIG 1 -3.451 -0.100 -0.125 0.00 0.00 +0.149 C BRANCH 35 36 ATOM 36 C LIG 1 -3.964 -1.215 0.792 0.00 0.00 -0.019 A ATOM 37 C LIG 1 -5.162 -1.945 0.457 0.00 0.00 -0.013 A ATOM 38 C LIG 1 -5.574 -3.010 1.301 0.00 0.00 -0.018 A ATOM 39 C LIG 1 -6.718 -3.769 1.001 0.00 0.00 +0.008 A ATOM 40 C LIG 1 -7.491 -3.493 -0.122 0.00 0.00 +0.001 A ATOM 41 C LIG 1 -7.131 -2.446 -0.954 0.00 0.00 +0.001 A ATOM 42 C LIG 1 -4.846 -3.314 2.452 0.00 0.00 +0.009 A ATOM 43 C LIG 1 -3.732 -2.565 2.809 0.00 0.00 +0.004 A ATOM 44 C LIG 1 -5.992 -1.686 -0.667 0.00 0.00 +0.009 A ATOM 45 C LIG 1 -3.296 -1.499 2.012 0.00 0.00 -0.045 A ATOM 46 C LIG 1 -2.099 -0.733 2.503 0.00 0.00 +0.044 C ENDBRANCH 35 36 ENDBRANCH 4 35 TORSDOF 7