REMARK Name = BDB032025 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.451 -0.205 -0.270 0.00 0.00 +0.221 A ATOM 2 N LIG 1 0.154 0.088 -0.056 0.00 0.00 -0.195 NA ATOM 3 C LIG 1 -0.710 -0.648 -0.757 0.00 0.00 +0.167 A ATOM 4 N LIG 1 -2.111 -0.566 -0.739 0.00 0.00 -0.273 N ATOM 5 C LIG 1 -2.634 -1.543 -1.613 0.00 0.00 +0.331 A ATOM 6 N LIG 1 -1.523 -2.202 -2.179 0.00 0.00 -0.292 N ATOM 7 C LIG 1 -1.568 -3.283 -3.121 0.00 0.00 +0.154 C ATOM 8 O LIG 1 -3.809 -1.783 -1.838 0.00 0.00 -0.246 OA ATOM 9 C LIG 1 -0.366 -1.644 -1.640 0.00 0.00 +0.107 A ATOM 10 C LIG 1 0.957 -1.886 -1.804 0.00 0.00 +0.144 A ATOM 11 N LIG 1 1.878 -1.170 -1.122 0.00 0.00 -0.220 NA ENDROOT BRANCH 4 12 ATOM 12 C LIG 1 -2.855 0.348 0.111 0.00 0.00 +0.094 C ATOM 13 C LIG 1 -3.596 -0.414 1.222 0.00 0.00 +0.028 C ATOM 14 C LIG 1 -4.599 0.493 1.924 0.00 0.00 +0.036 C ATOM 15 C LIG 1 -5.687 1.017 0.966 0.00 0.00 +0.063 C ATOM 16 C LIG 1 -7.009 0.273 1.173 0.00 0.00 +0.041 C ATOM 17 C LIG 1 -5.265 0.944 -0.514 0.00 0.00 +0.036 C ATOM 18 C LIG 1 -3.784 1.273 -0.702 0.00 0.00 +0.028 C BRANCH 15 19 ATOM 19 O LIG 1 -5.907 2.392 1.307 0.00 0.00 -0.389 OA ATOM 20 H LIG 1 -6.636 2.725 0.754 0.00 0.00 +0.210 HD ENDBRANCH 15 19 ENDBRANCH 4 12 BRANCH 1 21 ATOM 21 N LIG 1 2.342 0.566 0.472 0.00 0.00 -0.283 N ATOM 22 H LIG 1 1.806 1.216 1.028 0.00 0.00 +0.155 HD BRANCH 21 25 ATOM 23 C LIG 1 3.511 2.389 2.415 0.00 0.00 +0.046 C ATOM 24 C LIG 1 4.334 1.534 1.487 0.00 0.00 -0.027 A ATOM 25 C LIG 1 3.739 0.663 0.549 0.00 0.00 +0.037 A ATOM 26 C LIG 1 4.595 -0.098 -0.257 0.00 0.00 +0.033 A ATOM 27 C LIG 1 5.998 -0.001 -0.159 0.00 0.00 +0.002 A ATOM 28 C LIG 1 6.584 0.874 0.770 0.00 0.00 +0.071 A ATOM 29 N LIG 1 7.917 1.004 0.902 0.00 0.00 -0.255 NA ATOM 30 C LIG 1 8.707 0.256 0.102 0.00 0.00 +0.111 A ATOM 31 C LIG 1 8.228 -0.632 -0.841 0.00 0.00 +0.020 A ATOM 32 C LIG 1 6.851 -0.761 -0.972 0.00 0.00 +0.011 A ATOM 33 C LIG 1 5.739 1.623 1.574 0.00 0.00 +0.033 A ENDBRANCH 21 25 ENDBRANCH 1 21 TORSDOF 4