REMARK Name = BDB022878 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.394 0.869 -0.640 0.00 0.00 +0.216 A ATOM 2 N LIG 1 2.229 0.850 -1.300 0.00 0.00 -0.218 NA ATOM 3 C LIG 1 1.300 -0.051 -0.908 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -0.003 -0.092 -1.687 0.00 0.00 +0.163 C ATOM 5 N LIG 1 -1.071 -0.765 -0.925 0.00 0.00 -0.292 N ATOM 6 C LIG 1 -0.630 -2.111 -0.486 0.00 0.00 +0.078 C ATOM 7 C LIG 1 0.502 -1.967 0.553 0.00 0.00 +0.060 C ATOM 8 C LIG 1 -1.661 -3.145 -0.057 0.00 0.00 +0.028 C ATOM 9 C LIG 1 -2.039 0.085 -0.392 0.00 0.00 +0.220 C ATOM 10 O LIG 1 -1.986 1.304 -0.593 0.00 0.00 -0.275 OA ATOM 11 C LIG 1 1.528 -0.957 0.118 0.00 0.00 -0.005 A ATOM 12 C LIG 1 2.748 -0.839 0.743 0.00 0.00 +0.120 A ATOM 13 N LIG 1 3.682 0.061 0.388 0.00 0.00 -0.223 NA ENDROOT BRANCH 9 14 ATOM 14 C LIG 1 -3.176 -0.459 0.472 0.00 0.00 +0.085 C ATOM 15 C LIG 1 -4.483 0.348 0.228 0.00 0.00 +0.045 C ATOM 16 C LIG 1 -5.390 0.284 1.475 0.00 0.00 +0.093 C ATOM 17 N LIG 1 -4.769 0.821 2.698 0.00 0.00 -0.305 NA ATOM 18 C LIG 1 -5.273 2.156 3.018 0.00 0.00 +0.104 C ATOM 19 C LIG 1 -3.302 0.824 2.658 0.00 0.00 +0.085 C ATOM 20 C LIG 1 -2.754 -0.415 1.951 0.00 0.00 +0.029 C BRANCH 15 21 ATOM 21 C LIG 1 -5.179 -0.125 -1.045 0.00 0.00 -0.042 A ATOM 22 C LIG 1 -5.033 0.624 -2.224 0.00 0.00 +0.004 A ATOM 23 C LIG 1 -5.637 0.210 -3.412 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -6.389 -0.960 -3.442 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -6.534 -1.720 -2.284 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -5.931 -1.309 -1.093 0.00 0.00 +0.004 A ENDBRANCH 15 21 ENDBRANCH 9 14 BRANCH 1 27 ATOM 27 N LIG 1 4.309 1.809 -1.087 0.00 0.00 -0.309 N ATOM 28 H LIG 1 3.764 2.485 -1.609 0.00 0.00 +0.149 HD BRANCH 27 29 ATOM 29 C LIG 1 5.177 2.366 -0.071 0.00 0.00 +0.141 C BRANCH 29 34 ATOM 30 C LIG 1 10.215 -0.404 0.283 0.00 0.00 +0.065 C ATOM 31 C LIG 1 8.912 0.326 0.157 0.00 0.00 +0.038 A ATOM 32 N LIG 1 8.034 0.209 1.180 0.00 0.00 -0.260 NA ATOM 33 C LIG 1 6.851 0.858 1.058 0.00 0.00 +0.116 A ATOM 34 C LIG 1 6.498 1.650 -0.028 0.00 0.00 -0.012 A ATOM 35 C LIG 1 7.422 1.748 -1.070 0.00 0.00 +0.008 A ATOM 36 C LIG 1 8.641 1.080 -0.981 0.00 0.00 +0.023 A ENDBRANCH 29 34 ENDBRANCH 27 29 ENDBRANCH 1 27 TORSDOF 5