REMARK Name = BDB034007 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.126 -1.806 -1.632 0.00 0.00 +0.234 C ATOM 2 N LIG 1 -1.013 -1.672 -0.588 0.00 0.00 -0.309 N ATOM 3 H LIG 1 -1.078 -2.397 0.115 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 -0.006 -0.960 -2.520 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 5 ATOM 5 C LIG 1 0.690 -3.117 -1.658 0.00 0.00 +0.165 C BRANCH 5 7 ATOM 6 C LIG 1 2.093 -4.209 -3.393 0.00 0.00 +0.213 C ATOM 7 N LIG 1 1.547 -3.075 -2.845 0.00 0.00 -0.304 N ATOM 8 H LIG 1 1.530 -2.209 -3.380 0.00 0.00 +0.149 HD ATOM 9 O LIG 1 1.971 -5.316 -2.881 0.00 0.00 -0.276 OA BRANCH 6 11 ATOM 10 C LIG 1 3.479 -5.200 -5.249 0.00 0.00 +0.013 C ATOM 11 C LIG 1 2.860 -3.940 -4.672 0.00 0.00 +0.092 C ENDBRANCH 6 11 ENDBRANCH 5 7 BRANCH 5 12 ATOM 12 C LIG 1 1.475 -3.386 -0.367 0.00 0.00 +0.094 C BRANCH 12 13 ATOM 13 C LIG 1 2.240 -2.193 0.122 0.00 0.00 +0.082 A ATOM 14 S LIG 1 3.826 -1.866 -0.441 0.00 0.00 -0.072 S ATOM 15 C LIG 1 3.889 -0.460 0.551 0.00 0.00 +0.039 A ATOM 16 C LIG 1 2.690 -0.348 1.256 0.00 0.00 +0.078 A ATOM 17 C LIG 1 2.524 0.733 2.141 0.00 0.00 +0.029 A ATOM 18 C LIG 1 3.551 1.672 2.295 0.00 0.00 +0.006 A ATOM 19 C LIG 1 4.751 1.557 1.582 0.00 0.00 -0.044 A ATOM 20 C LIG 1 4.927 0.477 0.698 0.00 0.00 +0.021 A ATOM 21 N LIG 1 1.759 -1.343 1.004 0.00 0.00 -0.244 NA BRANCH 19 22 ATOM 22 C LIG 1 5.871 2.573 1.745 0.00 0.00 +0.013 C ATOM 23 C LIG 1 5.427 3.975 1.321 0.00 0.00 +0.012 C ATOM 24 C LIG 1 6.417 2.582 3.175 0.00 0.00 +0.012 C ENDBRANCH 19 22 ENDBRANCH 12 13 ENDBRANCH 5 12 ENDBRANCH 1 5 BRANCH 2 25 ATOM 25 C LIG 1 -1.840 -0.474 -0.410 0.00 0.00 +0.093 C BRANCH 25 26 ATOM 26 C LIG 1 -3.260 -0.740 -0.982 0.00 0.00 +0.011 C ATOM 27 C LIG 1 -4.076 0.549 -1.186 0.00 0.00 +0.005 C ATOM 28 C LIG 1 -5.419 0.258 -1.854 0.00 0.00 +0.000 C ATOM 29 C LIG 1 -6.226 -0.771 -1.068 0.00 0.00 +0.000 C ATOM 30 C LIG 1 -5.426 -2.048 -0.824 0.00 0.00 +0.000 C ATOM 31 C LIG 1 -4.079 -1.754 -0.162 0.00 0.00 +0.005 C ENDBRANCH 25 26 BRANCH 25 32 ATOM 32 C LIG 1 -1.770 -0.008 1.061 0.00 0.00 +0.127 C BRANCH 32 33 ATOM 33 N LIG 1 -2.196 1.366 1.252 0.00 0.00 -0.310 N ATOM 34 H LIG 1 -1.738 2.065 0.682 0.00 0.00 +0.149 HD ATOM 35 C LIG 1 -2.764 1.772 2.442 0.00 0.00 +0.244 C ATOM 36 O LIG 1 -3.030 1.010 3.363 0.00 0.00 -0.270 OA BRANCH 35 37 ATOM 37 C LIG 1 -3.027 3.229 2.585 0.00 0.00 +0.040 A ATOM 38 C LIG 1 -3.085 3.768 3.871 0.00 0.00 +0.033 A ATOM 39 C LIG 1 -3.334 5.121 3.999 0.00 0.00 +0.111 A ATOM 40 N LIG 1 -3.529 5.947 2.949 0.00 0.00 -0.263 NA ATOM 41 C LIG 1 -3.490 5.396 1.717 0.00 0.00 +0.111 A ATOM 42 C LIG 1 -3.247 4.054 1.481 0.00 0.00 +0.033 A ENDBRANCH 35 37 ENDBRANCH 32 33 ENDBRANCH 25 32 ENDBRANCH 2 25 TORSDOF 11