REMARK Name = BDB027796 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.079 0.516 -0.004 0.00 0.00 +0.165 A ATOM 2 N LIG 1 1.209 1.849 0.028 0.00 0.00 -0.226 NA ATOM 3 C LIG 1 0.087 2.554 0.220 0.00 0.00 +0.095 A ATOM 4 C LIG 1 -1.171 1.964 0.368 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -2.299 2.790 0.594 0.00 0.00 +0.033 A ATOM 6 C LIG 1 -2.131 4.162 0.643 0.00 0.00 +0.111 A ATOM 7 N LIG 1 -0.939 4.760 0.484 0.00 0.00 -0.261 NA ATOM 8 C LIG 1 -1.195 0.557 0.289 0.00 0.00 +0.131 A ATOM 9 C LIG 1 0.125 3.939 0.284 0.00 0.00 +0.139 A ATOM 10 N LIG 1 -0.072 -0.155 0.117 0.00 0.00 -0.212 NA ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 5.794 -0.876 -0.692 0.00 0.00 +0.172 C ATOM 12 N LIG 1 4.364 -0.875 -0.499 0.00 0.00 -0.274 N ATOM 13 N LIG 1 3.703 -2.046 -0.451 0.00 0.00 -0.179 NA ATOM 14 C LIG 1 2.431 -1.677 -0.263 0.00 0.00 +0.146 A ATOM 15 C LIG 1 2.275 -0.276 -0.194 0.00 0.00 +0.057 A ATOM 16 C LIG 1 3.557 0.213 -0.352 0.00 0.00 +0.119 A ENDBRANCH 1 15 BRANCH 8 17 ATOM 17 N LIG 1 -2.454 -0.102 0.404 0.00 0.00 -0.323 N ATOM 18 H LIG 1 -3.075 0.309 -0.291 0.00 0.00 +0.148 HD BRANCH 17 19 ATOM 19 C LIG 1 -2.670 -1.563 0.571 0.00 0.00 +0.031 C ATOM 20 C LIG 1 -1.656 -2.471 1.222 0.00 0.00 +0.027 C ATOM 21 C LIG 1 -1.911 -2.571 -0.258 0.00 0.00 +0.027 C ATOM 22 C LIG 1 -4.122 -1.889 0.860 0.00 0.00 +0.031 C ENDBRANCH 17 19 ENDBRANCH 8 17 TORSDOF 3