REMARK Name = BDB006344 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.907 -1.036 -1.139 0.00 0.00 +0.037 A ATOM 2 C LIG 1 1.730 0.261 -0.636 0.00 0.00 +0.023 A ATOM 3 C LIG 1 0.528 0.949 -0.900 0.00 0.00 +0.001 A ATOM 4 C LIG 1 0.049 2.242 -0.554 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -1.209 2.379 -1.092 0.00 0.00 +0.087 A ATOM 6 N LIG 1 -1.527 1.208 -1.736 0.00 0.00 -0.342 N ATOM 7 C LIG 1 -0.472 0.318 -1.647 0.00 0.00 +0.049 A ATOM 8 C LIG 1 -0.312 -0.987 -2.142 0.00 0.00 +0.027 A ATOM 9 C LIG 1 0.889 -1.651 -1.873 0.00 0.00 +0.015 A ENDROOT BRANCH 1 12 ATOM 10 N LIG 1 4.309 -1.064 -0.728 0.00 0.00 -0.305 N ATOM 11 H LIG 1 4.297 -0.079 -0.949 0.00 0.00 +0.150 HD ATOM 12 C LIG 1 3.159 -1.805 -0.895 0.00 0.00 +0.245 C ATOM 13 O LIG 1 3.139 -3.031 -0.882 0.00 0.00 -0.270 OA BRANCH 10 15 ATOM 14 C LIG 1 6.150 -2.179 -1.924 0.00 0.00 +0.033 C ATOM 15 C LIG 1 5.606 -1.700 -0.574 0.00 0.00 +0.100 C BRANCH 15 16 ATOM 16 C LIG 1 6.539 -0.747 0.160 0.00 0.00 -0.027 A ATOM 17 C LIG 1 7.264 0.257 -0.503 0.00 0.00 +0.007 A ATOM 18 C LIG 1 8.092 1.131 0.209 0.00 0.00 +0.033 A ATOM 19 C LIG 1 8.190 1.012 1.600 0.00 0.00 +0.126 A ATOM 20 C LIG 1 7.462 0.031 2.282 0.00 0.00 +0.033 A ATOM 21 C LIG 1 6.638 -0.838 1.561 0.00 0.00 +0.007 A BRANCH 19 22 ATOM 22 N LIG 1 9.055 1.930 2.351 0.00 0.00 +0.056 N ATOM 23 O LIG 1 9.136 1.773 3.578 0.00 0.00 -0.126 OA ATOM 24 O LIG 1 9.653 2.810 1.714 0.00 0.00 -0.126 OA ENDBRANCH 19 22 ENDBRANCH 15 16 ENDBRANCH 10 15 ENDBRANCH 1 12 BRANCH 6 25 ATOM 25 C LIG 1 -2.787 0.982 -2.437 0.00 0.00 +0.157 C BRANCH 25 26 ATOM 26 C LIG 1 -3.919 0.705 -1.478 0.00 0.00 -0.028 A ATOM 27 C LIG 1 -4.921 1.661 -1.267 0.00 0.00 +0.006 A ATOM 28 C LIG 1 -5.966 1.410 -0.374 0.00 0.00 +0.009 A ATOM 29 C LIG 1 -6.033 0.200 0.330 0.00 0.00 -0.014 A ATOM 30 C LIG 1 -5.031 -0.756 0.116 0.00 0.00 +0.009 A ATOM 31 C LIG 1 -3.986 -0.508 -0.777 0.00 0.00 +0.006 A BRANCH 29 32 ATOM 32 C LIG 1 -7.115 -0.050 1.287 0.00 0.00 +0.024 A ATOM 33 C LIG 1 -7.010 0.282 2.648 0.00 0.00 +0.125 A ATOM 34 C LIG 1 -8.058 0.039 3.535 0.00 0.00 +0.046 A ATOM 35 C LIG 1 -9.236 -0.545 3.076 0.00 0.00 +0.004 A ATOM 36 C LIG 1 -9.364 -0.886 1.730 0.00 0.00 +0.001 A ATOM 37 C LIG 1 -8.312 -0.640 0.844 0.00 0.00 +0.012 A BRANCH 33 38 ATOM 38 O LIG 1 -5.887 0.858 3.183 0.00 0.00 -0.506 OA ATOM 39 H LIG 1 -5.223 0.951 2.479 0.00 0.00 +0.292 HD ENDBRANCH 33 38 ENDBRANCH 29 32 ENDBRANCH 25 26 ENDBRANCH 6 25 TORSDOF 8