REMARK Name = BDB027794 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.451 0.672 -0.527 0.00 0.00 +0.131 A ATOM 2 C LIG 1 0.079 1.957 -0.741 0.00 0.00 +0.043 A ATOM 3 C LIG 1 1.411 2.124 -0.354 0.00 0.00 +0.095 A ATOM 4 C LIG 1 1.946 3.389 -0.547 0.00 0.00 +0.139 A ATOM 5 N LIG 1 1.299 4.460 -1.078 0.00 0.00 -0.261 NA ATOM 6 C LIG 1 0.025 4.259 -1.456 0.00 0.00 +0.111 A ATOM 7 N LIG 1 2.151 1.138 0.171 0.00 0.00 -0.226 NA ATOM 8 C LIG 1 1.555 -0.055 0.304 0.00 0.00 +0.165 A ATOM 9 C LIG 1 -0.622 3.046 -1.312 0.00 0.00 +0.033 A ATOM 10 N LIG 1 0.288 -0.331 -0.024 0.00 0.00 -0.212 NA ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 2.333 -1.143 0.854 0.00 0.00 +0.056 A ATOM 12 C LIG 1 3.650 -1.077 1.262 0.00 0.00 +0.116 A ATOM 13 N LIG 1 3.975 -2.323 1.709 0.00 0.00 -0.284 N ATOM 14 H LIG 1 4.862 -2.645 2.084 0.00 0.00 +0.188 HD ATOM 15 N LIG 1 2.963 -3.204 1.625 0.00 0.00 -0.182 NA ATOM 16 C LIG 1 1.966 -2.483 1.103 0.00 0.00 +0.145 A ENDBRANCH 8 11 BRANCH 1 17 ATOM 17 N LIG 1 -1.809 0.416 -0.878 0.00 0.00 -0.323 N ATOM 18 H LIG 1 -2.387 1.117 -0.422 0.00 0.00 +0.148 HD BRANCH 17 20 ATOM 19 C LIG 1 -1.889 -1.916 -1.847 0.00 0.00 +0.031 C ATOM 20 C LIG 1 -2.338 -0.968 -0.759 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -3.762 -1.133 -0.267 0.00 0.00 +0.027 C ATOM 22 C LIG 1 -2.620 -1.543 0.612 0.00 0.00 +0.027 C ENDBRANCH 17 20 ENDBRANCH 1 17 TORSDOF 3