REMARK Name = BDB026993 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.580 -1.691 -1.130 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.267 -3.159 -0.842 0.00 0.00 -0.023 A ATOM 3 C LIG 1 1.884 -3.898 0.182 0.00 0.00 +0.005 A ATOM 4 C LIG 1 1.576 -5.247 0.383 0.00 0.00 +0.000 A ATOM 5 C LIG 1 0.658 -5.888 -0.444 0.00 0.00 +0.000 A ATOM 6 C LIG 1 0.054 -5.184 -1.480 0.00 0.00 +0.000 A ATOM 7 C LIG 1 0.361 -3.837 -1.683 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 N LIG 1 2.607 -1.038 -0.281 0.00 0.00 -0.303 NA ATOM 9 H LIG 1 3.429 -1.632 -0.222 0.00 0.00 +0.123 HD BRANCH 8 10 ATOM 10 C LIG 1 2.171 -0.569 1.032 0.00 0.00 +0.086 C BRANCH 10 11 ATOM 11 C LIG 1 3.341 0.006 1.851 0.00 0.00 +0.050 C BRANCH 11 15 ATOM 12 C LIG 1 4.820 3.760 0.306 0.00 0.00 +0.052 A ATOM 13 C LIG 1 3.679 3.733 1.113 0.00 0.00 +0.019 A ATOM 14 C LIG 1 3.205 2.519 1.615 0.00 0.00 +0.005 A ATOM 15 C LIG 1 3.867 1.319 1.319 0.00 0.00 -0.046 A ATOM 16 C LIG 1 5.008 1.354 0.506 0.00 0.00 +0.005 A ATOM 17 C LIG 1 5.483 2.568 0.003 0.00 0.00 +0.019 A BRANCH 12 19 ATOM 18 N LIG 1 5.707 6.016 -0.620 0.00 0.00 -0.191 NA ATOM 19 C LIG 1 5.308 5.006 -0.209 0.00 0.00 +0.099 C ENDBRANCH 12 19 ENDBRANCH 11 15 ENDBRANCH 10 11 ENDBRANCH 8 10 ENDBRANCH 1 8 BRANCH 1 20 ATOM 20 C LIG 1 0.361 -0.766 -1.397 0.00 0.00 +0.186 C ATOM 21 O LIG 1 0.404 -0.003 -2.370 0.00 0.00 -0.290 OA BRANCH 20 22 ATOM 22 C LIG 1 -0.826 -0.752 -0.517 0.00 0.00 +0.044 A ATOM 23 C LIG 1 -1.970 0.118 -0.643 0.00 0.00 +0.010 A ATOM 24 C LIG 1 -2.865 -0.197 0.379 0.00 0.00 +0.048 A ATOM 25 C LIG 1 -4.092 0.462 0.552 0.00 0.00 +0.034 A ATOM 26 C LIG 1 -4.432 1.490 -0.343 0.00 0.00 -0.013 A ATOM 27 C LIG 1 -3.550 1.822 -1.376 0.00 0.00 +0.009 A ATOM 28 N LIG 1 -2.303 -1.216 1.106 0.00 0.00 -0.360 N ATOM 29 H LIG 1 -2.736 -1.653 1.908 0.00 0.00 +0.165 HD ATOM 30 C LIG 1 -2.328 1.150 -1.535 0.00 0.00 +0.011 A ATOM 31 C LIG 1 -1.081 -1.550 0.586 0.00 0.00 +0.095 A BRANCH 26 32 ATOM 32 C LIG 1 -5.698 2.188 -0.187 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -5.936 3.500 -0.543 0.00 0.00 +0.113 A ATOM 34 N LIG 1 -7.236 3.759 -0.215 0.00 0.00 -0.284 N ATOM 35 H LIG 1 -7.752 4.624 -0.334 0.00 0.00 +0.188 HD ATOM 36 N LIG 1 -7.868 2.712 0.338 0.00 0.00 -0.182 NA ATOM 37 C LIG 1 -6.933 1.757 0.352 0.00 0.00 +0.142 A ENDBRANCH 26 32 ENDBRANCH 20 22 ENDBRANCH 1 20 TORSDOF 9