REMARK Name = BDB054394 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -1.293 -1.642 1.014 0.00 0.00 -0.455 OA ENDROOT BRANCH 1 10 ATOM 2 C LIG 1 -5.139 0.672 -1.359 0.00 0.00 +0.134 A ATOM 3 C LIG 1 -4.216 -0.299 -1.785 0.00 0.00 +0.079 A ATOM 4 C LIG 1 -3.237 -0.749 -0.883 0.00 0.00 +0.030 A ATOM 5 C LIG 1 -3.163 -0.250 0.434 0.00 0.00 +0.044 A ATOM 6 C LIG 1 -4.088 0.719 0.856 0.00 0.00 +0.078 A ATOM 7 N LIG 1 -4.078 1.238 2.096 0.00 0.00 -0.255 NA ATOM 8 C LIG 1 -3.147 0.799 2.971 0.00 0.00 +0.115 A ATOM 9 C LIG 1 -2.195 -0.149 2.665 0.00 0.00 +0.066 A ATOM 10 C LIG 1 -2.197 -0.662 1.372 0.00 0.00 +0.139 A ATOM 11 C LIG 1 -5.051 1.158 -0.043 0.00 0.00 +0.074 A BRANCH 3 12 ATOM 12 C LIG 1 -4.178 -0.908 -3.153 0.00 0.00 +0.245 C ATOM 13 O LIG 1 -3.297 -1.697 -3.480 0.00 0.00 -0.270 OA ATOM 14 N LIG 1 -5.152 -0.570 -4.044 0.00 0.00 -0.325 N ATOM 15 H LIG 1 -5.112 -0.960 -4.975 0.00 0.00 +0.145 HD ATOM 16 H LIG 1 -5.867 0.109 -3.814 0.00 0.00 +0.145 HD ENDBRANCH 3 12 BRANCH 2 18 ATOM 17 C LIG 1 -7.011 2.095 -1.829 0.00 0.00 +0.277 C ATOM 18 O LIG 1 -6.084 1.102 -2.257 0.00 0.00 -0.494 OA ENDBRANCH 2 18 ENDBRANCH 1 10 BRANCH 1 19 ATOM 19 C LIG 1 0.044 -1.337 1.140 0.00 0.00 +0.129 A ATOM 20 C LIG 1 0.871 -2.346 1.633 0.00 0.00 +0.054 A ATOM 21 C LIG 1 2.253 -2.141 1.774 0.00 0.00 -0.014 A ATOM 22 C LIG 1 2.828 -0.906 1.383 0.00 0.00 -0.006 A ATOM 23 C LIG 1 4.232 -0.756 1.533 0.00 0.00 +0.044 A ATOM 24 C LIG 1 5.021 -1.769 2.096 0.00 0.00 +0.013 A ATOM 25 C LIG 1 4.436 -2.969 2.482 0.00 0.00 +0.001 A ATOM 26 C LIG 1 1.962 0.098 0.883 0.00 0.00 +0.013 A ATOM 27 C LIG 1 3.064 -3.155 2.311 0.00 0.00 +0.008 A ATOM 28 C LIG 1 0.589 -0.118 0.751 0.00 0.00 +0.047 A BRANCH 23 29 ATOM 29 C LIG 1 4.956 0.460 1.094 0.00 0.00 +0.245 C ATOM 30 N LIG 1 4.835 0.753 -0.250 0.00 0.00 -0.308 N ATOM 31 H LIG 1 4.316 0.115 -0.842 0.00 0.00 +0.149 HD ATOM 32 O LIG 1 5.637 1.090 1.894 0.00 0.00 -0.270 OA BRANCH 30 33 ATOM 33 C LIG 1 5.517 1.849 -0.858 0.00 0.00 +0.073 C ATOM 34 C LIG 1 6.671 1.603 -1.790 0.00 0.00 +0.024 C ATOM 35 C LIG 1 5.370 2.122 -2.330 0.00 0.00 +0.024 C ENDBRANCH 30 33 ENDBRANCH 23 29 ENDBRANCH 1 19 TORSDOF 6