REMARK Name = BDB049380 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.133 -2.259 0.499 0.00 0.00 -0.011 A ATOM 2 C LIG 1 -2.816 -2.686 0.724 0.00 0.00 +0.038 A ATOM 3 C LIG 1 -1.760 -1.805 0.447 0.00 0.00 +0.090 A ATOM 4 N LIG 1 -0.411 -1.998 0.590 0.00 0.00 -0.232 NA ATOM 5 C LIG 1 0.160 -0.877 0.198 0.00 0.00 +0.111 A ATOM 6 N LIG 1 -0.790 0.042 -0.203 0.00 0.00 -0.326 N ATOM 7 C LIG 1 -2.031 -0.535 -0.050 0.00 0.00 +0.069 A ATOM 8 C LIG 1 -3.335 -0.085 -0.286 0.00 0.00 +0.028 A ATOM 9 C LIG 1 -4.380 -0.974 -0.002 0.00 0.00 +0.011 A ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 -6.523 -3.347 -1.495 0.00 0.00 +0.070 C ATOM 11 C LIG 1 -6.289 -3.621 -0.058 0.00 0.00 +0.088 A ATOM 12 C LIG 1 -5.242 -3.147 0.777 0.00 0.00 +0.047 A ATOM 13 C LIG 1 -5.510 -3.717 2.002 0.00 0.00 +0.142 A ATOM 14 C LIG 1 -4.874 -3.670 3.333 0.00 0.00 +0.090 C ATOM 15 O LIG 1 -6.632 -4.480 1.905 0.00 0.00 -0.359 OA ATOM 16 N LIG 1 -7.127 -4.418 0.616 0.00 0.00 -0.083 NA ENDBRANCH 1 12 BRANCH 6 17 ATOM 17 C LIG 1 -0.532 1.367 -0.742 0.00 0.00 +0.139 C BRANCH 17 18 ATOM 18 C LIG 1 -0.419 2.453 0.341 0.00 0.00 +0.106 C BRANCH 18 19 ATOM 19 N LIG 1 -1.722 2.915 0.847 0.00 0.00 -0.296 NA ATOM 20 C LIG 1 -1.581 3.524 2.189 0.00 0.00 +0.112 C ATOM 21 C LIG 1 -2.785 4.412 2.535 0.00 0.00 +0.175 C ATOM 22 O LIG 1 -2.908 5.543 1.661 0.00 0.00 -0.377 OA ATOM 23 C LIG 1 -2.352 5.313 0.361 0.00 0.00 +0.175 C ATOM 24 C LIG 1 -2.418 3.840 -0.074 0.00 0.00 +0.112 C ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 6 17 BRANCH 5 25 ATOM 25 C LIG 1 1.635 -0.640 0.180 0.00 0.00 +0.079 C BRANCH 25 26 ATOM 26 C LIG 1 2.267 -1.208 -1.093 0.00 0.00 +0.043 C BRANCH 26 27 ATOM 27 C LIG 1 3.732 -0.866 -1.186 0.00 0.00 -0.047 A ATOM 28 C LIG 1 4.173 0.181 -1.995 0.00 0.00 +0.005 A ATOM 29 C LIG 1 5.536 0.507 -2.059 0.00 0.00 +0.023 A ATOM 30 C LIG 1 6.514 -0.194 -1.331 0.00 0.00 +0.029 A ATOM 31 C LIG 1 6.037 -1.230 -0.509 0.00 0.00 +0.023 A ATOM 32 C LIG 1 4.677 -1.567 -0.439 0.00 0.00 +0.005 A BRANCH 30 33 ATOM 33 N LIG 1 7.871 0.155 -1.389 0.00 0.00 -0.336 N ATOM 34 C LIG 1 8.351 0.856 -2.581 0.00 0.00 +0.129 C ATOM 35 C LIG 1 8.854 -0.701 -0.729 0.00 0.00 +0.129 C ENDBRANCH 30 33 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 5 25 TORSDOF 8