REMARK Name = BDB026994 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.400 -1.244 -0.744 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.730 -1.191 0.745 0.00 0.00 -0.023 A ATOM 3 C LIG 1 0.815 0.049 1.403 0.00 0.00 +0.005 A ATOM 4 C LIG 1 1.136 0.121 2.760 0.00 0.00 +0.000 A ATOM 5 C LIG 1 1.390 -1.043 3.478 0.00 0.00 +0.000 A ATOM 6 C LIG 1 1.329 -2.279 2.840 0.00 0.00 +0.000 A ATOM 7 C LIG 1 1.007 -2.354 1.483 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 N LIG 1 1.604 -1.441 -1.593 0.00 0.00 -0.303 NA ATOM 9 H LIG 1 1.981 -2.373 -1.413 0.00 0.00 +0.123 HD BRANCH 8 10 ATOM 10 C LIG 1 2.623 -0.401 -1.491 0.00 0.00 +0.086 C BRANCH 10 11 ATOM 11 C LIG 1 3.847 -0.834 -0.668 0.00 0.00 +0.050 C BRANCH 11 15 ATOM 12 C LIG 1 6.662 2.410 -0.224 0.00 0.00 +0.052 A ATOM 13 C LIG 1 5.742 2.133 0.792 0.00 0.00 +0.019 A ATOM 14 C LIG 1 4.836 1.080 0.649 0.00 0.00 +0.005 A ATOM 15 C LIG 1 4.841 0.292 -0.510 0.00 0.00 -0.046 A ATOM 16 C LIG 1 5.762 0.577 -1.527 0.00 0.00 +0.005 A ATOM 17 C LIG 1 6.669 1.630 -1.384 0.00 0.00 +0.019 A BRANCH 12 19 ATOM 18 N LIG 1 8.342 4.368 0.043 0.00 0.00 -0.191 NA ATOM 19 C LIG 1 7.592 3.491 -0.077 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 -0.598 -2.392 -1.069 0.00 0.00 +0.186 C ATOM 21 O LIG 1 -0.166 -3.534 -1.284 0.00 0.00 -0.290 OA BRANCH 20 22 ATOM 22 C LIG 1 -2.049 -2.146 -1.128 0.00 0.00 +0.044 A ATOM 23 C LIG 1 -2.872 -1.033 -0.726 0.00 0.00 +0.010 A ATOM 24 C LIG 1 -4.196 -1.358 -1.043 0.00 0.00 +0.048 A ATOM 25 C LIG 1 -5.282 -0.503 -0.800 0.00 0.00 +0.034 A ATOM 26 C LIG 1 -5.039 0.738 -0.197 0.00 0.00 -0.013 A ATOM 27 C LIG 1 -3.730 1.087 0.139 0.00 0.00 +0.009 A ATOM 28 N LIG 1 -4.191 -2.615 -1.596 0.00 0.00 -0.360 N ATOM 29 H LIG 1 -5.015 -3.108 -1.913 0.00 0.00 +0.165 HD ATOM 30 C LIG 1 -2.654 0.220 -0.116 0.00 0.00 +0.011 A ATOM 31 C LIG 1 -2.918 -3.097 -1.644 0.00 0.00 +0.095 A BRANCH 26 32 ATOM 32 C LIG 1 -6.147 1.643 0.064 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -6.217 2.540 1.109 0.00 0.00 +0.113 A ATOM 34 N LIG 1 -7.423 3.171 0.996 0.00 0.00 -0.284 N ATOM 35 H LIG 1 -7.814 3.890 1.595 0.00 0.00 +0.188 HD ATOM 36 N LIG 1 -8.151 2.749 -0.050 0.00 0.00 -0.182 NA ATOM 37 C LIG 1 -7.376 1.820 -0.615 0.00 0.00 +0.142 A ENDBRANCH 26 32 ENDBRANCH 20 22 ENDBRANCH 1 20 TORSDOF 9