REMARK Name = BDB008278 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.859 1.848 -1.483 0.00 0.00 +0.128 A ATOM 2 N LIG 1 0.466 1.820 -1.746 0.00 0.00 -0.217 NA ATOM 3 C LIG 1 1.311 1.163 -0.924 0.00 0.00 +0.128 A ATOM 4 C LIG 1 0.858 0.513 0.204 0.00 0.00 +0.054 A ATOM 5 C LIG 1 -0.514 0.523 0.469 0.00 0.00 +0.005 A ATOM 6 C LIG 1 -1.385 1.209 -0.382 0.00 0.00 +0.054 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -1.036 -0.152 1.666 0.00 0.00 +0.056 A ATOM 8 N LIG 1 -1.474 -1.497 1.699 0.00 0.00 -0.296 N ATOM 9 C LIG 1 -1.964 -2.091 2.868 0.00 0.00 +0.138 A ATOM 10 N LIG 1 -2.313 -3.342 2.678 0.00 0.00 -0.233 NA ATOM 11 C LIG 1 -2.058 -3.602 1.359 0.00 0.00 +0.060 A ATOM 12 C LIG 1 -2.344 -4.945 0.800 0.00 0.00 +0.067 C ATOM 13 C LIG 1 -2.017 -1.303 4.050 0.00 0.00 +0.047 A ATOM 14 C LIG 1 -1.602 -0.025 4.023 0.00 0.00 +0.006 A ATOM 15 C LIG 1 -1.539 -2.486 0.722 0.00 0.00 +0.044 A ATOM 16 C LIG 1 -1.126 -2.329 -0.695 0.00 0.00 +0.066 C ATOM 17 C LIG 1 -1.097 0.577 2.803 0.00 0.00 +0.027 A ENDBRANCH 5 7 BRANCH 1 19 ATOM 18 C LIG 1 -2.849 2.946 -2.660 0.00 0.00 +0.235 C ATOM 19 N LIG 1 -1.564 2.567 -2.443 0.00 0.00 -0.269 N ATOM 20 H LIG 1 -0.947 2.910 -3.171 0.00 0.00 +0.156 HD ATOM 21 O LIG 1 -3.072 3.594 -3.694 0.00 0.00 -0.274 OA BRANCH 18 22 ATOM 22 C LIG 1 -4.003 2.595 -1.707 0.00 0.00 +0.137 C ATOM 23 C LIG 1 -4.510 1.191 -2.028 0.00 0.00 +0.034 C BRANCH 22 25 ATOM 24 C LIG 1 -4.869 4.836 -1.283 0.00 0.00 +0.101 C ATOM 25 N LIG 1 -5.137 3.535 -1.888 0.00 0.00 -0.309 NA ATOM 26 H LIG 1 -5.254 3.675 -2.898 0.00 0.00 +0.122 HD ENDBRANCH 22 25 ENDBRANCH 18 22 ENDBRANCH 1 19 BRANCH 3 27 ATOM 27 N LIG 1 2.633 1.247 -1.349 0.00 0.00 -0.270 N ATOM 28 H LIG 1 2.731 1.841 -2.165 0.00 0.00 +0.156 HD ATOM 29 C LIG 1 3.829 0.731 -0.951 0.00 0.00 +0.223 C ATOM 30 O LIG 1 4.828 1.101 -1.575 0.00 0.00 -0.275 OA BRANCH 29 31 ATOM 31 C LIG 1 3.911 -0.254 0.199 0.00 0.00 +0.131 C BRANCH 31 32 ATOM 32 C LIG 1 5.272 -0.884 0.393 0.00 0.00 -0.039 A ATOM 33 C LIG 1 6.240 -0.257 1.190 0.00 0.00 +0.004 A ATOM 34 C LIG 1 7.496 -0.839 1.367 0.00 0.00 +0.000 A ATOM 35 C LIG 1 7.800 -2.048 0.745 0.00 0.00 +0.000 A ATOM 36 C LIG 1 6.849 -2.675 -0.058 0.00 0.00 +0.000 A ATOM 37 C LIG 1 5.592 -2.095 -0.237 0.00 0.00 +0.004 A ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 3 27 TORSDOF 7