REMARK Name = BDB055584 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.058 -0.122 2.004 0.00 0.00 +0.092 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 -3.201 0.215 2.902 0.00 0.00 -0.339 N ATOM 3 H LIG 1 -3.343 1.241 2.876 0.00 0.00 +0.146 HD BRANCH 2 4 ATOM 4 C LIG 1 -4.457 -0.386 2.703 0.00 0.00 +0.038 A ATOM 5 C LIG 1 -5.527 0.285 2.060 0.00 0.00 +0.043 A ATOM 6 C LIG 1 -6.742 -0.383 1.834 0.00 0.00 +0.013 A ATOM 7 C LIG 1 -6.897 -1.713 2.221 0.00 0.00 +0.001 A ATOM 8 C LIG 1 -5.851 -2.379 2.853 0.00 0.00 +0.002 A ATOM 9 C LIG 1 -4.646 -1.719 3.096 0.00 0.00 +0.023 A BRANCH 5 10 ATOM 10 C LIG 1 -5.379 1.714 1.651 0.00 0.00 +0.195 C ATOM 11 O LIG 1 -4.592 2.452 2.241 0.00 0.00 -0.287 OA BRANCH 10 12 ATOM 12 C LIG 1 -6.146 2.276 0.520 0.00 0.00 +0.022 A ATOM 13 C LIG 1 -6.177 1.629 -0.721 0.00 0.00 +0.012 A ATOM 14 C LIG 1 -6.892 2.195 -1.777 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -7.570 3.400 -1.594 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -7.529 4.051 -0.357 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -6.808 3.494 0.699 0.00 0.00 +0.012 A ENDBRANCH 10 12 ENDBRANCH 5 10 ENDBRANCH 2 4 ENDBRANCH 1 2 BRANCH 1 18 ATOM 18 C LIG 1 -2.401 -0.084 0.492 0.00 0.00 +0.126 C BRANCH 18 21 ATOM 19 C LIG 1 -4.378 -2.513 -1.642 0.00 0.00 +0.109 C ATOM 20 C LIG 1 -3.463 -1.358 -1.333 0.00 0.00 +0.210 C ATOM 21 N LIG 1 -3.167 -1.223 0.002 0.00 0.00 -0.314 N ATOM 22 H LIG 1 -3.745 -1.722 0.665 0.00 0.00 +0.149 HD ATOM 23 O LIG 1 -3.052 -0.600 -2.204 0.00 0.00 -0.276 OA ENDBRANCH 18 21 ENDBRANCH 1 18 BRANCH 1 24 ATOM 24 C LIG 1 -1.356 -1.419 2.456 0.00 0.00 +0.059 C BRANCH 24 25 ATOM 25 C LIG 1 0.040 -1.569 1.900 0.00 0.00 -0.045 A ATOM 26 C LIG 1 1.117 -0.906 2.501 0.00 0.00 +0.007 A ATOM 27 C LIG 1 2.405 -1.036 1.979 0.00 0.00 +0.046 A ATOM 28 C LIG 1 2.642 -1.825 0.852 0.00 0.00 +0.121 A ATOM 29 C LIG 1 1.573 -2.482 0.245 0.00 0.00 +0.046 A ATOM 30 C LIG 1 0.280 -2.354 0.765 0.00 0.00 +0.007 A BRANCH 28 31 ATOM 31 O LIG 1 3.950 -1.876 0.455 0.00 0.00 -0.492 OA BRANCH 31 32 ATOM 32 C LIG 1 4.235 -2.562 -0.767 0.00 0.00 +0.235 C BRANCH 32 33 ATOM 33 C LIG 1 5.736 -2.489 -1.052 0.00 0.00 +0.100 C BRANCH 33 34 ATOM 34 C LIG 1 6.194 -1.138 -1.480 0.00 0.00 +0.086 A ATOM 35 C LIG 1 5.931 -0.441 -2.642 0.00 0.00 +0.126 A ATOM 36 C LIG 1 5.137 -0.694 -3.856 0.00 0.00 +0.088 C ATOM 37 O LIG 1 6.595 0.752 -2.578 0.00 0.00 -0.440 OA ATOM 38 C LIG 1 7.242 0.718 -1.369 0.00 0.00 +0.228 A ATOM 39 N LIG 1 7.039 -0.394 -0.686 0.00 0.00 -0.214 NA BRANCH 38 40 ATOM 40 C LIG 1 8.054 1.882 -1.022 0.00 0.00 +0.037 A ATOM 41 C LIG 1 8.726 1.913 0.211 0.00 0.00 +0.013 A ATOM 42 C LIG 1 9.515 3.010 0.569 0.00 0.00 +0.001 A ATOM 43 C LIG 1 9.643 4.090 -0.304 0.00 0.00 +0.000 A ATOM 44 C LIG 1 8.981 4.078 -1.531 0.00 0.00 +0.001 A ATOM 45 C LIG 1 8.191 2.980 -1.887 0.00 0.00 +0.013 A ENDBRANCH 38 40 ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 28 31 ENDBRANCH 24 25 ENDBRANCH 1 24 TORSDOF 13