REMARK Name = BDB052674 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.963 0.885 0.094 0.00 0.00 +0.191 C ATOM 2 C LIG 1 -0.215 1.526 0.904 0.00 0.00 +0.174 C ATOM 3 N LIG 1 -1.442 1.649 0.095 0.00 0.00 -0.307 N ATOM 4 C LIG 1 -2.381 0.651 0.008 0.00 0.00 +0.077 A ATOM 5 C LIG 1 -3.402 1.028 -0.838 0.00 0.00 +0.015 A ATOM 6 C LIG 1 -4.434 0.096 -1.034 0.00 0.00 -0.008 A ATOM 7 C LIG 1 -5.662 0.217 -1.887 0.00 0.00 +0.141 C ATOM 8 N LIG 1 -6.312 -1.050 -1.703 0.00 0.00 -0.307 N ATOM 9 H LIG 1 -7.184 -1.334 -2.128 0.00 0.00 +0.149 HD ATOM 10 C LIG 1 -5.627 -1.900 -0.862 0.00 0.00 +0.245 C ATOM 11 O LIG 1 -5.992 -3.021 -0.568 0.00 0.00 -0.270 OA ATOM 12 C LIG 1 -4.417 -1.194 -0.417 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -3.407 -1.661 0.438 0.00 0.00 +0.022 A ATOM 14 C LIG 1 -3.076 -2.839 1.177 0.00 0.00 +0.008 A ATOM 15 C LIG 1 -1.871 -2.590 1.855 0.00 0.00 +0.052 A ATOM 16 N LIG 1 -1.483 -1.295 1.542 0.00 0.00 -0.311 N ATOM 17 C LIG 1 -0.347 -0.603 2.143 0.00 0.00 +0.224 C ATOM 18 C LIG 1 1.035 -1.062 1.663 0.00 0.00 +0.080 C ATOM 19 C LIG 1 -1.271 -3.554 2.686 0.00 0.00 +0.026 A ATOM 20 C LIG 1 -1.898 -4.794 2.827 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -3.088 -5.067 2.165 0.00 0.00 +0.001 A ATOM 22 C LIG 1 -3.682 -4.103 1.344 0.00 0.00 +0.010 A ATOM 23 C LIG 1 -3.064 2.321 -1.323 0.00 0.00 +0.008 A ATOM 24 C LIG 1 -3.698 3.206 -2.224 0.00 0.00 +0.010 A ATOM 25 C LIG 1 -3.079 4.404 -2.580 0.00 0.00 +0.001 A ATOM 26 C LIG 1 -1.833 4.724 -2.065 0.00 0.00 +0.002 A ATOM 27 C LIG 1 -1.182 3.868 -1.169 0.00 0.00 +0.026 A ATOM 28 C LIG 1 -2.387 -0.756 0.680 0.00 0.00 +0.077 A ATOM 29 C LIG 1 -1.814 2.672 -0.778 0.00 0.00 +0.053 A ATOM 30 C LIG 1 0.245 2.874 1.508 0.00 0.00 +0.069 C ATOM 31 O LIG 1 -0.547 0.807 2.121 0.00 0.00 -0.328 OA ATOM 32 C LIG 1 1.845 0.104 1.092 0.00 0.00 +0.114 C ENDROOT BRANCH 32 33 ATOM 33 N LIG 1 3.163 -0.275 0.529 0.00 0.00 -0.295 N ATOM 34 C LIG 1 4.114 0.749 0.428 0.00 0.00 +0.247 C ATOM 35 O LIG 1 3.845 1.926 0.666 0.00 0.00 -0.270 OA ATOM 36 C LIG 1 3.303 -1.563 -0.149 0.00 0.00 +0.132 C BRANCH 34 37 ATOM 37 C LIG 1 5.505 0.419 0.046 0.00 0.00 +0.037 A ATOM 38 C LIG 1 6.123 1.165 -0.963 0.00 0.00 +0.013 A ATOM 39 C LIG 1 7.443 0.887 -1.319 0.00 0.00 +0.001 A ATOM 40 C LIG 1 8.146 -0.122 -0.659 0.00 0.00 +0.000 A ATOM 41 C LIG 1 7.538 -0.849 0.366 0.00 0.00 +0.001 A ATOM 42 C LIG 1 6.218 -0.575 0.726 0.00 0.00 +0.013 A ENDBRANCH 34 37 ENDBRANCH 32 33 BRANCH 1 44 ATOM 43 C LIG 1 0.706 0.351 -2.223 0.00 0.00 +0.194 C ATOM 44 O LIG 1 0.500 -0.075 -0.882 0.00 0.00 -0.373 OA ENDBRANCH 1 44 TORSDOF 3