REMARK Name = BDB049779 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.111 -0.952 -1.413 0.00 0.00 +0.121 A ATOM 2 C LIG 1 1.131 -0.658 -0.849 0.00 0.00 +0.055 A ATOM 3 C LIG 1 2.113 0.002 -1.604 0.00 0.00 +0.007 A ATOM 4 C LIG 1 1.852 0.343 -2.937 0.00 0.00 +0.010 A ATOM 5 C LIG 1 0.617 0.038 -3.505 0.00 0.00 +0.004 A ATOM 6 C LIG 1 -0.359 -0.605 -2.743 0.00 0.00 +0.045 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 3.389 0.335 -0.990 0.00 0.00 +0.117 A ATOM 8 C LIG 1 4.021 1.599 -0.859 0.00 0.00 +0.102 A ATOM 9 N LIG 1 5.205 1.448 -0.250 0.00 0.00 -0.151 NA ATOM 10 N LIG 1 5.233 0.114 0.013 0.00 0.00 -0.149 N ATOM 11 N LIG 1 4.159 -0.597 -0.413 0.00 0.00 -0.147 NA BRANCH 10 12 ATOM 12 C LIG 1 6.322 -0.498 0.686 0.00 0.00 +0.086 A ATOM 13 C LIG 1 7.411 0.276 1.113 0.00 0.00 +0.029 A ATOM 14 C LIG 1 8.480 -0.331 1.775 0.00 0.00 +0.002 A ATOM 15 C LIG 1 8.468 -1.706 2.012 0.00 0.00 +0.000 A ATOM 16 C LIG 1 7.387 -2.479 1.589 0.00 0.00 +0.002 A ATOM 17 C LIG 1 6.313 -1.880 0.927 0.00 0.00 +0.029 A ENDBRANCH 10 12 BRANCH 8 18 ATOM 18 C LIG 1 3.553 2.940 -1.298 0.00 0.00 +0.179 C BRANCH 18 19 ATOM 19 C LIG 1 2.260 3.341 -0.635 0.00 0.00 +0.311 C ATOM 20 O LIG 1 1.709 2.824 0.323 0.00 0.00 -0.251 OA BRANCH 19 21 ATOM 21 O LIG 1 1.711 4.428 -1.221 0.00 0.00 -0.480 OA ATOM 22 H LIG 1 0.890 4.586 -0.707 0.00 0.00 +0.295 HD ENDBRANCH 19 21 ENDBRANCH 18 19 ENDBRANCH 8 18 ENDBRANCH 3 7 BRANCH 1 23 ATOM 23 O LIG 1 -1.153 -1.571 -0.781 0.00 0.00 -0.492 OA BRANCH 23 24 ATOM 24 C LIG 1 -1.025 -1.785 0.626 0.00 0.00 +0.235 C BRANCH 24 25 ATOM 25 C LIG 1 -2.343 -2.328 1.179 0.00 0.00 +0.100 C BRANCH 25 28 ATOM 26 C LIG 1 -2.698 0.584 2.864 0.00 0.00 +0.088 C ATOM 27 C LIG 1 -3.550 -0.142 1.907 0.00 0.00 +0.126 A ATOM 28 C LIG 1 -3.440 -1.320 1.197 0.00 0.00 +0.086 A ATOM 29 N LIG 1 -4.582 -1.508 0.449 0.00 0.00 -0.214 NA ATOM 30 C LIG 1 -5.322 -0.445 0.703 0.00 0.00 +0.228 A ATOM 31 O LIG 1 -4.750 0.429 1.591 0.00 0.00 -0.440 OA BRANCH 30 32 ATOM 32 C LIG 1 -6.639 -0.090 0.181 0.00 0.00 +0.037 A ATOM 33 C LIG 1 -7.303 1.083 0.570 0.00 0.00 +0.013 A ATOM 34 C LIG 1 -8.563 1.396 0.053 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -9.175 0.540 -0.861 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -8.530 -0.628 -1.258 0.00 0.00 +0.001 A ATOM 37 C LIG 1 -7.270 -0.940 -0.741 0.00 0.00 +0.013 A ENDBRANCH 30 32 ENDBRANCH 25 28 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 1 23 TORSDOF 10