REMARK Name = BDB006108 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.443 -0.385 0.928 0.00 0.00 +0.027 A ATOM 2 C LIG 1 3.822 -1.261 1.819 0.00 0.00 +0.040 A ATOM 3 C LIG 1 2.479 -1.523 1.621 0.00 0.00 +0.043 A ATOM 4 N LIG 1 1.696 -2.389 2.376 0.00 0.00 -0.281 N ATOM 5 H LIG 1 2.010 -2.939 3.161 0.00 0.00 +0.155 HD ATOM 6 C LIG 1 0.403 -2.446 1.892 0.00 0.00 +0.251 C ATOM 7 C LIG 1 0.363 -1.484 0.727 0.00 0.00 +0.068 C ATOM 8 C LIG 1 -0.795 -1.266 0.063 0.00 0.00 +0.051 C ATOM 9 O LIG 1 -0.511 -3.126 2.322 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 1.728 -0.945 0.588 0.00 0.00 +0.010 A ATOM 11 C LIG 1 2.353 -0.094 -0.308 0.00 0.00 +0.012 A ATOM 12 C LIG 1 3.715 0.190 -0.130 0.00 0.00 +0.017 A ENDROOT BRANCH 8 13 ATOM 13 C LIG 1 -0.834 -0.307 -1.068 0.00 0.00 -0.003 A ATOM 14 C LIG 1 -0.906 -0.785 -2.384 0.00 0.00 +0.010 A ATOM 15 C LIG 1 -0.947 0.105 -3.459 0.00 0.00 +0.001 A ATOM 16 C LIG 1 -0.922 1.480 -3.228 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -0.861 1.967 -1.923 0.00 0.00 +0.001 A ATOM 18 C LIG 1 -0.818 1.079 -0.847 0.00 0.00 +0.010 A ENDBRANCH 8 13 BRANCH 1 20 ATOM 19 C LIG 1 6.998 0.167 1.229 0.00 0.00 -0.003 C ATOM 20 C LIG 1 5.831 -0.080 1.085 0.00 0.00 -0.057 C BRANCH 19 23 ATOM 21 N LIG 1 8.950 1.291 0.472 0.00 0.00 -0.305 N ATOM 22 H LIG 1 8.373 1.587 -0.304 0.00 0.00 +0.150 HD ATOM 23 C LIG 1 8.400 0.456 1.411 0.00 0.00 +0.289 C ATOM 24 O LIG 1 9.002 -0.043 2.350 0.00 0.00 -0.261 OA BRANCH 21 26 ATOM 25 C LIG 1 11.181 0.564 -0.241 0.00 0.00 +0.024 C ATOM 26 C LIG 1 10.357 1.622 0.471 0.00 0.00 +0.102 C ENDBRANCH 21 26 ENDBRANCH 19 23 ENDBRANCH 1 20 BRANCH 8 27 ATOM 27 N LIG 1 -1.977 -1.982 0.286 0.00 0.00 -0.313 N ATOM 28 H LIG 1 -1.882 -2.626 1.083 0.00 0.00 +0.152 HD BRANCH 27 29 ATOM 29 C LIG 1 -3.280 -1.429 0.302 0.00 0.00 +0.031 A ATOM 30 C LIG 1 -3.571 -0.201 0.903 0.00 0.00 +0.023 A ATOM 31 C LIG 1 -4.886 0.267 0.971 0.00 0.00 +0.007 A ATOM 32 C LIG 1 -5.944 -0.496 0.459 0.00 0.00 -0.033 A ATOM 33 C LIG 1 -5.659 -1.749 -0.098 0.00 0.00 +0.007 A ATOM 34 C LIG 1 -4.342 -2.213 -0.162 0.00 0.00 +0.023 A BRANCH 32 35 ATOM 35 C LIG 1 -7.371 0.004 0.546 0.00 0.00 +0.119 C BRANCH 35 36 ATOM 36 N LIG 1 -7.568 1.338 -0.052 0.00 0.00 -0.304 NA ATOM 37 C LIG 1 -7.397 1.301 -1.507 0.00 0.00 +0.104 C ATOM 38 C LIG 1 -8.901 1.842 0.280 0.00 0.00 +0.104 C ENDBRANCH 35 36 ENDBRANCH 32 35 ENDBRANCH 27 29 ENDBRANCH 8 27 TORSDOF 8