REMARK Name = BDB026919 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.029 -0.183 1.715 0.00 0.00 +0.186 C ATOM 2 O LIG 1 -1.185 1.030 1.887 0.00 0.00 -0.290 OA ENDROOT BRANCH 1 7 ATOM 3 C LIG 1 3.993 0.928 0.058 0.00 0.00 -0.042 A ATOM 4 C LIG 1 3.727 -0.448 0.168 0.00 0.00 +0.030 A ATOM 5 C LIG 1 2.453 -0.851 0.593 0.00 0.00 +0.047 A ATOM 6 C LIG 1 1.439 0.050 0.912 0.00 0.00 +0.010 A ATOM 7 C LIG 1 0.282 -0.711 1.300 0.00 0.00 +0.044 A ATOM 8 C LIG 1 0.648 -2.044 1.209 0.00 0.00 +0.095 A ATOM 9 C LIG 1 1.718 1.427 0.798 0.00 0.00 +0.011 A ATOM 10 N LIG 1 1.946 -2.114 0.779 0.00 0.00 -0.360 N ATOM 11 H LIG 1 2.464 -2.967 0.619 0.00 0.00 +0.165 HD ATOM 12 C LIG 1 2.986 1.848 0.375 0.00 0.00 +0.004 A BRANCH 3 17 ATOM 13 C LIG 1 8.491 -0.310 -1.401 0.00 0.00 +0.104 C ATOM 14 N LIG 1 8.147 1.107 -1.310 0.00 0.00 -0.305 NA ATOM 15 C LIG 1 7.833 1.518 0.064 0.00 0.00 +0.084 C ATOM 16 C LIG 1 6.475 1.027 0.569 0.00 0.00 +0.023 C ATOM 17 C LIG 1 5.352 1.435 -0.397 0.00 0.00 +0.021 C ATOM 18 C LIG 1 5.687 0.989 -1.828 0.00 0.00 +0.023 C ATOM 19 C LIG 1 7.076 1.482 -2.241 0.00 0.00 +0.084 C ENDBRANCH 3 17 ENDBRANCH 1 7 BRANCH 1 20 ATOM 20 C LIG 1 -2.194 -1.179 1.986 0.00 0.00 +0.156 C BRANCH 20 21 ATOM 21 C LIG 1 -2.638 -2.009 0.788 0.00 0.00 -0.023 A ATOM 22 C LIG 1 -3.194 -3.282 1.005 0.00 0.00 +0.005 A ATOM 23 C LIG 1 -3.620 -4.069 -0.066 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -3.501 -3.595 -1.370 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -2.963 -2.332 -1.603 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -2.539 -1.540 -0.533 0.00 0.00 +0.005 A ENDBRANCH 20 21 BRANCH 20 27 ATOM 27 N LIG 1 -3.330 -0.517 2.703 0.00 0.00 -0.303 NA ATOM 28 H LIG 1 -2.893 0.086 3.406 0.00 0.00 +0.123 HD BRANCH 27 29 ATOM 29 C LIG 1 -4.154 0.357 1.852 0.00 0.00 +0.086 C BRANCH 29 30 ATOM 30 C LIG 1 -5.507 -0.289 1.528 0.00 0.00 +0.050 C BRANCH 30 31 ATOM 31 C LIG 1 -6.332 0.576 0.604 0.00 0.00 -0.046 A ATOM 32 C LIG 1 -6.277 0.377 -0.782 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -7.024 1.186 -1.643 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -7.830 2.204 -1.125 0.00 0.00 +0.052 A ATOM 35 C LIG 1 -7.885 2.410 0.257 0.00 0.00 +0.019 A ATOM 36 C LIG 1 -7.138 1.601 1.117 0.00 0.00 +0.005 A BRANCH 34 37 ATOM 37 C LIG 1 -8.596 3.033 -2.007 0.00 0.00 +0.099 C ATOM 38 N LIG 1 -9.217 3.705 -2.722 0.00 0.00 -0.191 NA ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 27 29 ENDBRANCH 20 27 ENDBRANCH 1 20 TORSDOF 9