REMARK Name = BDB004927 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.212 0.347 -1.290 0.00 0.00 -0.324 N ATOM 2 H LIG 1 0.104 0.068 -2.225 0.00 0.00 +0.148 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 1.063 0.572 -0.737 0.00 0.00 +0.121 A ATOM 4 N LIG 1 1.912 0.036 -1.639 0.00 0.00 -0.221 NA ATOM 5 C LIG 1 3.185 0.396 -1.466 0.00 0.00 +0.223 A ATOM 6 N LIG 1 4.081 -0.589 -1.575 0.00 0.00 -0.243 NA ATOM 7 C LIG 1 5.082 -0.454 -0.678 0.00 0.00 +0.125 A ATOM 8 C LIG 1 5.312 0.178 0.498 0.00 0.00 +0.055 A ATOM 9 C LIG 1 4.610 0.906 1.385 0.00 0.00 +0.014 A ATOM 10 C LIG 1 3.395 1.388 1.684 0.00 0.00 +0.001 A ATOM 11 C LIG 1 2.102 1.499 1.354 0.00 0.00 +0.003 A ATOM 12 C LIG 1 1.158 1.192 0.455 0.00 0.00 +0.043 A BRANCH 8 13 ATOM 13 C LIG 1 6.774 0.078 0.900 0.00 0.00 +0.243 C ATOM 14 O LIG 1 7.198 -0.395 1.951 0.00 0.00 -0.270 OA ATOM 15 N LIG 1 7.627 0.645 -0.015 0.00 0.00 -0.325 N ATOM 16 H LIG 1 7.219 0.843 -0.926 0.00 0.00 +0.145 HD ATOM 17 H LIG 1 8.600 0.409 0.059 0.00 0.00 +0.145 HD ENDBRANCH 8 13 ENDBRANCH 1 3 BRANCH 1 18 ATOM 18 C LIG 1 -1.119 -0.722 -0.785 0.00 0.00 +0.093 C BRANCH 18 19 ATOM 19 C LIG 1 -0.409 -2.129 -0.726 0.00 0.00 +0.037 C ATOM 20 C LIG 1 -1.183 -3.227 0.055 0.00 0.00 +0.036 C ATOM 21 C LIG 1 -2.267 -3.902 -0.752 0.00 0.00 -0.026 C ATOM 22 C LIG 1 -2.148 -4.014 -2.084 0.00 0.00 -0.005 C ATOM 23 C LIG 1 -0.971 -3.511 -2.755 0.00 0.00 -0.004 C ATOM 24 C LIG 1 -0.154 -2.639 -2.144 0.00 0.00 -0.021 C ENDBRANCH 18 19 BRANCH 18 25 ATOM 25 C LIG 1 -1.832 -0.318 0.550 0.00 0.00 +0.107 C BRANCH 25 26 ATOM 26 N LIG 1 -2.491 1.020 0.718 0.00 0.00 -0.298 NA BRANCH 26 27 ATOM 27 C LIG 1 -3.348 1.386 -0.420 0.00 0.00 +0.051 C ATOM 28 C LIG 1 -4.767 0.810 -0.367 0.00 0.00 +0.024 C ATOM 29 C LIG 1 -3.380 2.902 -0.648 0.00 0.00 +0.024 C ENDBRANCH 26 27 BRANCH 26 31 ATOM 30 C LIG 1 -3.470 2.497 2.530 0.00 0.00 +0.020 C ATOM 31 C LIG 1 -3.048 1.108 2.072 0.00 0.00 +0.081 C ENDBRANCH 26 31 ENDBRANCH 25 26 ENDBRANCH 18 25 ENDBRANCH 1 18 TORSDOF 8