REMARK Name = BDB026853 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.499 -2.704 0.514 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.551 -4.220 0.341 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -1.119 -4.794 -0.867 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.152 -6.177 -1.053 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.617 -7.006 -0.035 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -2.054 -6.454 1.167 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -2.023 -5.071 1.354 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 N LIG 1 -2.826 -2.083 0.748 0.00 0.00 -0.303 NA ATOM 9 H LIG 1 -3.206 -2.448 1.623 0.00 0.00 +0.123 HD BRANCH 8 10 ATOM 10 C LIG 1 -3.767 -2.305 -0.353 0.00 0.00 +0.086 C BRANCH 10 11 ATOM 11 C LIG 1 -4.974 -1.355 -0.262 0.00 0.00 +0.050 C BRANCH 11 15 ATOM 12 C LIG 1 -4.049 2.616 -1.707 0.00 0.00 +0.120 A ATOM 13 C LIG 1 -3.658 2.216 -0.427 0.00 0.00 +0.046 A ATOM 14 C LIG 1 -3.964 0.942 0.047 0.00 0.00 +0.007 A ATOM 15 C LIG 1 -4.668 0.042 -0.754 0.00 0.00 -0.046 A ATOM 16 C LIG 1 -5.061 0.447 -2.038 0.00 0.00 +0.007 A ATOM 17 C LIG 1 -4.756 1.725 -2.510 0.00 0.00 +0.046 A BRANCH 12 19 ATOM 18 C LIG 1 -4.079 4.351 -3.333 0.00 0.00 +0.277 C ATOM 19 O LIG 1 -3.673 3.888 -2.050 0.00 0.00 -0.495 OA ENDBRANCH 12 19 ENDBRANCH 11 15 ENDBRANCH 10 11 ENDBRANCH 8 10 ENDBRANCH 1 8 BRANCH 1 20 ATOM 20 C LIG 1 -0.557 -2.303 1.681 0.00 0.00 +0.186 C ATOM 21 O LIG 1 -0.805 -2.610 2.851 0.00 0.00 -0.290 OA BRANCH 20 22 ATOM 22 C LIG 1 0.663 -1.565 1.354 0.00 0.00 +0.044 A ATOM 23 C LIG 1 0.850 -0.468 0.448 0.00 0.00 +0.010 A ATOM 24 C LIG 1 2.208 -0.140 0.461 0.00 0.00 +0.050 A ATOM 25 C LIG 1 2.765 0.887 -0.332 0.00 0.00 -0.023 A ATOM 26 C LIG 1 1.870 1.601 -1.147 0.00 0.00 +0.006 A ATOM 27 C LIG 1 0.509 1.318 -1.161 0.00 0.00 +0.001 A ATOM 28 N LIG 1 2.816 -0.992 1.361 0.00 0.00 -0.360 N ATOM 29 H LIG 1 3.803 -0.984 1.578 0.00 0.00 +0.165 HD ATOM 30 C LIG 1 -0.012 0.293 -0.368 0.00 0.00 +0.011 A ATOM 31 C LIG 1 1.893 -1.825 1.929 0.00 0.00 +0.095 A BRANCH 25 32 ATOM 32 C LIG 1 4.227 1.260 -0.311 0.00 0.00 +0.046 C BRANCH 32 33 ATOM 33 C LIG 1 4.480 2.483 0.572 0.00 0.00 +0.100 C BRANCH 33 34 ATOM 34 C LIG 1 5.965 2.757 0.743 0.00 0.00 +0.215 C ATOM 35 N LIG 1 6.319 3.866 1.501 0.00 0.00 -0.308 N ATOM 36 C LIG 1 7.728 4.109 1.770 0.00 0.00 +0.131 C ATOM 37 C LIG 1 5.383 4.693 2.246 0.00 0.00 +0.131 C ATOM 38 O LIG 1 6.809 2.022 0.229 0.00 0.00 -0.276 OA ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 25 32 ENDBRANCH 20 22 ENDBRANCH 1 20 TORSDOF 11