REMARK Name = BDB015990 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.945 -2.033 -0.908 0.00 0.00 +0.162 A ATOM 2 N LIG 1 0.887 -1.342 -0.446 0.00 0.00 -0.212 NA ATOM 3 C LIG 1 -0.342 -1.886 -0.569 0.00 0.00 +0.132 A ATOM 4 C LIG 1 -0.529 -3.129 -1.174 0.00 0.00 +0.060 A ATOM 5 C LIG 1 0.623 -3.755 -1.612 0.00 0.00 +0.126 A ATOM 6 N LIG 1 1.863 -3.240 -1.495 0.00 0.00 -0.235 NA ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 4.692 0.489 -0.093 0.00 0.00 -0.014 A ATOM 8 C LIG 1 3.432 -0.116 -0.240 0.00 0.00 +0.020 A ATOM 9 C LIG 1 3.280 -1.418 -0.762 0.00 0.00 +0.020 A ATOM 10 C LIG 1 4.452 -2.101 -1.134 0.00 0.00 +0.011 A ATOM 11 C LIG 1 5.713 -1.517 -0.989 0.00 0.00 +0.001 A ATOM 12 C LIG 1 5.831 -0.228 -0.469 0.00 0.00 +0.008 A BRANCH 7 17 ATOM 13 C LIG 1 3.782 5.234 1.048 0.00 0.00 +0.172 C ATOM 14 N LIG 1 4.395 3.933 0.932 0.00 0.00 -0.274 N ATOM 15 N LIG 1 5.599 3.717 1.491 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 5.854 2.440 1.192 0.00 0.00 +0.142 A ATOM 17 C LIG 1 4.817 1.833 0.445 0.00 0.00 +0.020 A ATOM 18 C LIG 1 3.888 2.841 0.291 0.00 0.00 +0.116 A ENDBRANCH 7 17 ENDBRANCH 1 9 BRANCH 4 19 ATOM 19 C LIG 1 -1.830 -3.773 -1.319 0.00 0.00 +0.097 A ATOM 20 N LIG 1 -2.784 -3.658 -0.376 0.00 0.00 -0.171 NA ATOM 21 N LIG 1 -3.825 -4.357 -0.862 0.00 0.00 -0.274 N ATOM 22 C LIG 1 -5.053 -4.413 -0.108 0.00 0.00 +0.172 C ATOM 23 C LIG 1 -3.571 -4.948 -2.061 0.00 0.00 +0.108 A ATOM 24 C LIG 1 -2.286 -4.590 -2.390 0.00 0.00 +0.049 A ENDBRANCH 4 19 BRANCH 3 25 ATOM 25 N LIG 1 -1.460 -1.127 -0.165 0.00 0.00 -0.325 N ATOM 26 H LIG 1 -2.155 -1.789 0.200 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 -1.214 0.014 0.717 0.00 0.00 +0.078 C ATOM 28 C LIG 1 -0.874 1.290 -0.082 0.00 0.00 +0.011 C ATOM 29 C LIG 1 -2.038 1.672 -1.026 0.00 0.00 +0.023 C ATOM 30 C LIG 1 -3.364 1.868 -0.280 0.00 0.00 +0.051 C ATOM 31 C LIG 1 -3.671 0.690 0.652 0.00 0.00 +0.023 C ATOM 32 C LIG 1 -0.534 2.455 0.877 0.00 0.00 +0.005 C ATOM 33 C LIG 1 -0.850 2.173 2.347 0.00 0.00 +0.001 C ATOM 34 C LIG 1 -2.183 1.455 2.572 0.00 0.00 +0.005 C ATOM 35 C LIG 1 -2.474 0.323 1.558 0.00 0.00 +0.011 C BRANCH 30 36 ATOM 36 N LIG 1 -4.461 2.059 -1.228 0.00 0.00 -0.327 NA ATOM 37 H LIG 1 -4.260 2.854 -1.833 0.00 0.00 +0.118 HD ATOM 38 H LIG 1 -5.318 2.281 -0.725 0.00 0.00 +0.118 HD ENDBRANCH 30 36 ENDBRANCH 25 27 ENDBRANCH 3 25 TORSDOF 6