REMARK Name = BDB027777 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.440 0.699 0.017 0.00 0.00 +0.131 A ATOM 2 C LIG 1 0.111 1.991 -0.078 0.00 0.00 +0.043 A ATOM 3 C LIG 1 1.464 2.042 -0.431 0.00 0.00 +0.095 A ATOM 4 C LIG 1 2.023 3.308 -0.515 0.00 0.00 +0.139 A ATOM 5 N LIG 1 1.379 4.484 -0.297 0.00 0.00 -0.261 NA ATOM 6 C LIG 1 0.076 4.401 0.021 0.00 0.00 +0.111 A ATOM 7 N LIG 1 2.199 0.948 -0.682 0.00 0.00 -0.224 NA ATOM 8 C LIG 1 1.556 -0.223 -0.592 0.00 0.00 +0.180 A ATOM 9 C LIG 1 -0.595 3.199 0.141 0.00 0.00 +0.033 A ATOM 10 N LIG 1 0.277 -0.403 -0.258 0.00 0.00 -0.211 NA ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 2.332 -1.406 -0.874 0.00 0.00 +0.103 A ATOM 12 N LIG 1 3.659 -1.377 -1.228 0.00 0.00 -0.342 N ATOM 13 H LIG 1 4.215 -0.538 -1.325 0.00 0.00 +0.167 HD ATOM 14 C LIG 1 4.076 -2.662 -1.418 0.00 0.00 +0.196 A ATOM 15 N LIG 1 3.103 -3.518 -1.210 0.00 0.00 -0.244 NA ATOM 16 C LIG 1 2.016 -2.749 -0.874 0.00 0.00 +0.141 A ENDBRANCH 8 11 BRANCH 1 17 ATOM 17 N LIG 1 -1.811 0.555 0.375 0.00 0.00 -0.323 N ATOM 18 H LIG 1 -1.988 1.088 1.222 0.00 0.00 +0.148 HD BRANCH 17 20 ATOM 19 C LIG 1 -2.074 -1.653 1.590 0.00 0.00 +0.031 C ATOM 20 C LIG 1 -2.419 -0.800 0.391 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -2.694 -1.501 -0.920 0.00 0.00 +0.027 C ATOM 22 C LIG 1 -3.833 -0.917 -0.140 0.00 0.00 +0.027 C ENDBRANCH 17 20 ENDBRANCH 1 17 TORSDOF 3