REMARK Name = BDB000526 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.232 -0.875 -1.809 0.00 0.00 -0.492 OA ENDROOT BRANCH 1 6 ATOM 2 C LIG 1 -5.345 -0.015 0.428 0.00 0.00 +0.030 C ATOM 3 C LIG 1 -4.032 -0.165 -0.296 0.00 0.00 -0.040 A ATOM 4 C LIG 1 -3.044 -0.650 0.570 0.00 0.00 -0.040 A ATOM 5 C LIG 1 -1.755 -0.914 0.126 0.00 0.00 +0.049 A ATOM 6 C LIG 1 -1.449 -0.673 -1.215 0.00 0.00 +0.121 A ATOM 7 C LIG 1 -2.445 -0.191 -2.083 0.00 0.00 +0.046 A ATOM 8 C LIG 1 -3.594 -0.868 1.944 0.00 0.00 +0.036 C ATOM 9 C LIG 1 -3.744 0.060 -1.631 0.00 0.00 +0.008 A ATOM 10 C LIG 1 -4.857 0.000 1.896 0.00 0.00 +0.013 C BRANCH 2 11 ATOM 11 C LIG 1 -6.139 1.230 0.056 0.00 0.00 +0.128 C BRANCH 11 13 ATOM 12 O LIG 1 -7.661 1.881 1.835 0.00 0.00 -0.251 OA ATOM 13 C LIG 1 -7.440 1.272 0.802 0.00 0.00 +0.305 C BRANCH 13 14 ATOM 14 O LIG 1 -8.397 0.520 0.227 0.00 0.00 -0.481 OA ATOM 15 H LIG 1 -9.176 0.636 0.810 0.00 0.00 +0.295 HD ENDBRANCH 13 14 ENDBRANCH 11 13 ENDBRANCH 2 11 ENDBRANCH 1 6 BRANCH 1 16 ATOM 16 C LIG 1 0.830 -1.335 -0.973 0.00 0.00 +0.232 C BRANCH 16 17 ATOM 17 C LIG 1 2.094 -1.466 -1.821 0.00 0.00 +0.082 C BRANCH 17 18 ATOM 18 C LIG 1 2.600 -0.115 -2.327 0.00 0.00 +0.232 C BRANCH 18 19 ATOM 19 O LIG 1 2.933 0.758 -1.248 0.00 0.00 -0.492 OA BRANCH 19 20 ATOM 20 C LIG 1 4.180 0.687 -0.689 0.00 0.00 +0.122 A ATOM 21 C LIG 1 4.394 1.625 0.331 0.00 0.00 +0.071 A ATOM 22 C LIG 1 5.637 1.635 0.976 0.00 0.00 +0.050 A ATOM 23 C LIG 1 6.661 0.751 0.641 0.00 0.00 -0.000 A ATOM 24 C LIG 1 7.763 1.045 1.489 0.00 0.00 +0.027 A ATOM 25 C LIG 1 7.394 2.087 2.310 0.00 0.00 +0.083 A ATOM 26 C LIG 1 6.432 -0.186 -0.384 0.00 0.00 +0.013 A ATOM 27 N LIG 1 6.108 2.436 1.991 0.00 0.00 -0.361 N ATOM 28 H LIG 1 5.576 3.174 2.431 0.00 0.00 +0.165 HD ATOM 29 C LIG 1 5.190 -0.207 -1.039 0.00 0.00 +0.046 A ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 1 16 TORSDOF 9