REMARK Name = BDB045495 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.147 -1.175 1.296 0.00 0.00 +0.037 A ATOM 2 C LIG 1 1.203 -1.051 0.925 0.00 0.00 +0.025 A ATOM 3 C LIG 1 2.083 -2.130 1.148 0.00 0.00 +0.028 A ATOM 4 C LIG 1 1.575 -3.291 1.721 0.00 0.00 +0.066 A ATOM 5 N LIG 1 2.638 -4.148 1.790 0.00 0.00 -0.276 N ATOM 6 H LIG 1 2.647 -5.092 2.158 0.00 0.00 +0.189 HD ATOM 7 N LIG 1 3.781 -3.654 1.295 0.00 0.00 -0.173 NA ATOM 8 C LIG 1 0.241 -3.439 2.114 0.00 0.00 +0.028 A ATOM 9 C LIG 1 3.472 -2.400 0.921 0.00 0.00 +0.100 A ATOM 10 C LIG 1 -0.613 -2.352 1.895 0.00 0.00 +0.015 A ENDROOT BRANCH 9 11 ATOM 11 C LIG 1 4.492 -1.518 0.353 0.00 0.00 +0.003 A ATOM 12 C LIG 1 4.532 -0.158 0.659 0.00 0.00 +0.012 A ATOM 13 C LIG 1 5.516 0.672 0.099 0.00 0.00 +0.024 A ATOM 14 C LIG 1 6.497 0.183 -0.778 0.00 0.00 +0.030 A ATOM 15 C LIG 1 6.446 -1.190 -1.061 0.00 0.00 +0.024 A ATOM 16 C LIG 1 5.468 -2.029 -0.506 0.00 0.00 +0.012 A BRANCH 14 17 ATOM 17 N LIG 1 7.461 1.008 -1.329 0.00 0.00 -0.326 N ATOM 18 C LIG 1 7.801 2.315 -0.745 0.00 0.00 +0.133 C ATOM 19 C LIG 1 9.255 2.684 -1.083 0.00 0.00 +0.178 C ATOM 20 O LIG 1 9.531 2.754 -2.490 0.00 0.00 -0.377 OA ATOM 21 C LIG 1 8.700 1.885 -3.273 0.00 0.00 +0.178 C ATOM 22 C LIG 1 8.227 0.626 -2.526 0.00 0.00 +0.133 C ENDBRANCH 14 17 ENDBRANCH 9 11 BRANCH 1 24 ATOM 23 O LIG 1 -0.585 1.123 1.032 0.00 0.00 -0.270 OA ATOM 24 C LIG 1 -1.044 -0.012 1.052 0.00 0.00 +0.244 C ATOM 25 N LIG 1 -2.374 -0.307 0.810 0.00 0.00 -0.310 N ATOM 26 H LIG 1 -2.577 -1.253 0.518 0.00 0.00 +0.149 HD BRANCH 25 27 ATOM 27 C LIG 1 -3.278 0.744 0.370 0.00 0.00 +0.126 C BRANCH 27 28 ATOM 28 C LIG 1 -4.825 0.440 0.488 0.00 0.00 +0.038 C ATOM 29 C LIG 1 -5.175 -0.801 -0.391 0.00 0.00 +0.024 C ATOM 30 C LIG 1 -5.859 -1.934 0.373 0.00 0.00 +0.002 C ATOM 31 C LIG 1 -5.057 -2.342 1.599 0.00 0.00 +0.000 C ATOM 32 C LIG 1 -4.772 -1.181 2.548 0.00 0.00 +0.002 C ATOM 33 C LIG 1 -5.157 0.193 1.996 0.00 0.00 +0.024 C BRANCH 28 34 ATOM 34 N LIG 1 -5.605 1.649 0.065 0.00 0.00 -0.291 NA ATOM 35 C LIG 1 -7.080 1.537 0.062 0.00 0.00 +0.113 C ATOM 36 C LIG 1 -7.731 1.760 -1.315 0.00 0.00 +0.175 C ATOM 37 O LIG 1 -7.397 3.013 -1.916 0.00 0.00 -0.377 OA ATOM 38 C LIG 1 -6.100 3.487 -1.541 0.00 0.00 +0.175 C ATOM 39 C LIG 1 -5.130 2.363 -1.136 0.00 0.00 +0.113 C ENDBRANCH 28 34 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 24 TORSDOF 6