REMARK Name = BDB050775 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.094 1.094 -1.062 0.00 0.00 +0.042 A ATOM 2 C LIG 1 1.446 1.449 -0.833 0.00 0.00 +0.038 A ATOM 3 C LIG 1 1.942 2.653 -1.363 0.00 0.00 +0.013 A ATOM 4 C LIG 1 1.111 3.521 -2.070 0.00 0.00 +0.001 A ATOM 5 C LIG 1 -0.229 3.197 -2.252 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -0.735 1.997 -1.749 0.00 0.00 +0.024 A ENDROOT BRANCH 2 7 ATOM 7 C LIG 1 2.358 0.624 -0.033 0.00 0.00 +0.141 A ATOM 8 N LIG 1 1.957 -0.082 1.079 0.00 0.00 -0.338 N ATOM 9 H LIG 1 1.007 -0.114 1.424 0.00 0.00 +0.167 HD ATOM 10 C LIG 1 3.039 -0.733 1.608 0.00 0.00 +0.067 A ATOM 11 C LIG 1 4.100 -0.369 0.784 0.00 0.00 +0.102 A ATOM 12 C LIG 1 5.385 -0.876 1.062 0.00 0.00 +0.064 A ATOM 13 C LIG 1 5.542 -1.733 2.167 0.00 0.00 +0.015 A ATOM 14 C LIG 1 4.453 -2.077 2.973 0.00 0.00 +0.003 A ATOM 15 C LIG 1 3.172 -1.581 2.709 0.00 0.00 +0.028 A ATOM 16 N LIG 1 3.657 0.478 -0.218 0.00 0.00 -0.227 NA BRANCH 12 17 ATOM 17 C LIG 1 6.565 -0.538 0.231 0.00 0.00 +0.244 C ATOM 18 O LIG 1 7.677 -0.984 0.485 0.00 0.00 -0.270 OA ATOM 19 N LIG 1 6.366 0.291 -0.834 0.00 0.00 -0.325 N ATOM 20 H LIG 1 5.443 0.662 -1.048 0.00 0.00 +0.145 HD ATOM 21 H LIG 1 7.152 0.538 -1.418 0.00 0.00 +0.145 HD ENDBRANCH 12 17 ENDBRANCH 2 7 BRANCH 1 22 ATOM 22 N LIG 1 -0.410 -0.154 -0.575 0.00 0.00 -0.313 N ATOM 23 H LIG 1 0.226 -0.887 -0.898 0.00 0.00 +0.152 HD BRANCH 22 36 ATOM 24 C LIG 1 -3.438 1.034 2.253 0.00 0.00 +0.121 A ATOM 25 C LIG 1 -2.449 0.654 1.345 0.00 0.00 +0.057 A ATOM 26 C LIG 1 -2.733 -0.179 0.235 0.00 0.00 +0.026 A ATOM 27 C LIG 1 -4.049 -0.633 0.053 0.00 0.00 +0.074 A ATOM 28 N LIG 1 -4.412 -1.426 -0.964 0.00 0.00 -0.247 NA ATOM 29 C LIG 1 -3.501 -1.805 -1.871 0.00 0.00 +0.073 A ATOM 30 C LIG 1 -2.149 -1.419 -1.811 0.00 0.00 +0.022 A ATOM 31 C LIG 1 -1.275 -1.848 -2.844 0.00 0.00 +0.012 A ATOM 32 C LIG 1 -1.728 -2.653 -3.889 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -3.058 -3.040 -3.924 0.00 0.00 +0.002 A ATOM 34 C LIG 1 -3.927 -2.610 -2.920 0.00 0.00 +0.028 A ATOM 35 C LIG 1 -5.021 -0.246 0.965 0.00 0.00 +0.032 A ATOM 36 C LIG 1 -1.763 -0.607 -0.710 0.00 0.00 +0.050 A ATOM 37 C LIG 1 -4.733 0.578 2.059 0.00 0.00 +0.048 A BRANCH 24 39 ATOM 38 C LIG 1 -3.988 2.280 4.200 0.00 0.00 +0.277 C ATOM 39 O LIG 1 -3.006 1.837 3.271 0.00 0.00 -0.495 OA ENDBRANCH 24 39 ENDBRANCH 22 36 ENDBRANCH 1 22 TORSDOF 5