REMARK Name = BDB016092 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.100 -2.086 -0.029 0.00 0.00 +0.130 A ATOM 2 C LIG 1 -0.311 -3.436 -0.310 0.00 0.00 +0.043 A ATOM 3 C LIG 1 0.818 -4.145 -0.685 0.00 0.00 +0.125 A ATOM 4 N LIG 1 2.054 -3.616 -0.800 0.00 0.00 -0.235 NA ATOM 5 C LIG 1 2.151 -2.303 -0.538 0.00 0.00 +0.162 A ATOM 6 N LIG 1 1.119 -1.534 -0.148 0.00 0.00 -0.212 NA ENDROOT BRANCH 2 7 ATOM 7 C LIG 1 -1.610 -4.081 -0.241 0.00 0.00 +0.024 A ATOM 8 C LIG 1 -1.841 -5.352 0.244 0.00 0.00 +0.116 A ATOM 9 N LIG 1 -3.187 -5.561 0.140 0.00 0.00 -0.274 N ATOM 10 C LIG 1 -3.915 -6.748 0.519 0.00 0.00 +0.172 C ATOM 11 N LIG 1 -3.853 -4.511 -0.371 0.00 0.00 -0.179 NA ATOM 12 C LIG 1 -2.892 -3.617 -0.616 0.00 0.00 +0.143 A ENDBRANCH 2 7 BRANCH 5 13 ATOM 13 C LIG 1 3.458 -1.637 -0.703 0.00 0.00 +0.020 A ATOM 14 C LIG 1 3.566 -0.233 -0.607 0.00 0.00 +0.020 A ATOM 15 C LIG 1 4.785 0.444 -0.774 0.00 0.00 -0.014 A ATOM 16 C LIG 1 5.934 -0.310 -1.031 0.00 0.00 +0.008 A ATOM 17 C LIG 1 5.860 -1.701 -1.128 0.00 0.00 +0.001 A ATOM 18 C LIG 1 4.635 -2.355 -0.969 0.00 0.00 +0.011 A BRANCH 15 19 ATOM 19 C LIG 1 4.850 1.895 -0.682 0.00 0.00 +0.020 A ATOM 20 C LIG 1 3.786 2.752 -0.880 0.00 0.00 +0.116 A ATOM 21 N LIG 1 4.267 4.016 -0.711 0.00 0.00 -0.274 N ATOM 22 C LIG 1 3.522 5.245 -0.819 0.00 0.00 +0.172 C ATOM 23 N LIG 1 5.579 4.055 -0.414 0.00 0.00 -0.179 NA ATOM 24 C LIG 1 5.931 2.765 -0.402 0.00 0.00 +0.142 A ENDBRANCH 15 19 ENDBRANCH 5 13 BRANCH 1 25 ATOM 25 N LIG 1 -1.176 -1.254 0.362 0.00 0.00 -0.326 N ATOM 26 H LIG 1 -1.658 -1.729 1.121 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 -0.787 0.122 0.725 0.00 0.00 +0.128 C BRANCH 27 28 ATOM 28 C LIG 1 -2.009 1.096 0.871 0.00 0.00 +0.050 C ATOM 29 C LIG 1 -2.729 1.251 -0.488 0.00 0.00 +0.027 C ATOM 30 C LIG 1 -3.916 2.220 -0.439 0.00 0.00 +0.002 C ATOM 31 C LIG 1 -4.655 2.222 0.898 0.00 0.00 +0.000 C ATOM 32 C LIG 1 -4.488 0.909 1.645 0.00 0.00 +0.002 C ATOM 33 C LIG 1 -3.021 0.560 1.932 0.00 0.00 +0.027 C BRANCH 28 36 ATOM 34 C LIG 1 -0.386 4.548 1.404 0.00 0.00 +0.109 C ATOM 35 C LIG 1 -0.601 3.220 0.727 0.00 0.00 +0.210 C ATOM 36 N LIG 1 -1.537 2.429 1.354 0.00 0.00 -0.308 N ATOM 37 H LIG 1 -2.070 2.860 2.099 0.00 0.00 +0.149 HD ATOM 38 O LIG 1 0.006 2.917 -0.293 0.00 0.00 -0.276 OA ENDBRANCH 28 36 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 7