REMARK Name = BDB024268 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.454 -1.712 1.832 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.911 -2.537 0.635 0.00 0.00 -0.022 A ATOM 3 C LIG 1 1.856 -2.060 -0.685 0.00 0.00 +0.005 A ATOM 4 C LIG 1 2.296 -2.850 -1.749 0.00 0.00 +0.000 A ATOM 5 C LIG 1 2.809 -4.123 -1.510 0.00 0.00 +0.000 A ATOM 6 C LIG 1 2.887 -4.606 -0.207 0.00 0.00 +0.000 A ATOM 7 C LIG 1 2.446 -3.819 0.858 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 0.313 -0.687 1.564 0.00 0.00 +0.240 C ATOM 9 N LIG 1 -0.767 -1.229 0.901 0.00 0.00 -0.269 N ATOM 10 H LIG 1 -0.733 -2.197 0.603 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 0.375 0.468 1.986 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 -1.956 -0.611 0.519 0.00 0.00 +0.125 A ATOM 13 N LIG 1 -2.792 -1.432 -0.139 0.00 0.00 -0.238 NA ATOM 14 C LIG 1 -3.977 -0.908 -0.553 0.00 0.00 +0.136 A ATOM 15 C LIG 1 -4.417 0.402 -0.340 0.00 0.00 +0.048 A ATOM 16 C LIG 1 -3.503 1.215 0.333 0.00 0.00 +0.028 A ATOM 17 C LIG 1 -2.270 0.713 0.770 0.00 0.00 +0.045 A BRANCH 15 18 ATOM 18 N LIG 1 -5.659 0.846 -0.815 0.00 0.00 -0.324 N ATOM 19 C LIG 1 -6.815 0.029 -0.363 0.00 0.00 +0.133 C ATOM 20 C LIG 1 -8.087 0.439 -1.124 0.00 0.00 +0.178 C ATOM 21 O LIG 1 -8.356 1.843 -0.989 0.00 0.00 -0.377 OA ATOM 22 C LIG 1 -7.256 2.603 -1.512 0.00 0.00 +0.178 C ATOM 23 C LIG 1 -5.954 2.296 -0.755 0.00 0.00 +0.133 C ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 24 ATOM 24 N LIG 1 2.556 -1.102 2.620 0.00 0.00 -0.302 NA ATOM 25 H LIG 1 2.131 -0.389 3.220 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 3.651 -0.479 1.868 0.00 0.00 +0.086 C BRANCH 26 27 ATOM 27 C LIG 1 3.305 0.825 1.134 0.00 0.00 +0.050 C BRANCH 27 31 ATOM 28 C LIG 1 6.772 2.485 -0.840 0.00 0.00 +0.052 A ATOM 29 C LIG 1 6.328 3.026 0.370 0.00 0.00 +0.019 A ATOM 30 C LIG 1 5.205 2.491 1.008 0.00 0.00 +0.005 A ATOM 31 C LIG 1 4.514 1.413 0.441 0.00 0.00 -0.046 A ATOM 32 C LIG 1 4.966 0.873 -0.771 0.00 0.00 +0.005 A ATOM 33 C LIG 1 6.089 1.406 -1.409 0.00 0.00 +0.019 A BRANCH 28 35 ATOM 34 N LIG 1 8.856 3.477 -2.024 0.00 0.00 -0.191 NA ATOM 35 C LIG 1 7.923 3.033 -1.494 0.00 0.00 +0.099 C ENDBRANCH 28 35 ENDBRANCH 27 31 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9