REMARK Name = BDB050344 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.077 0.484 -0.426 0.00 0.00 +0.121 A ATOM 2 C LIG 1 2.875 1.198 -0.325 0.00 0.00 +0.055 A ATOM 3 C LIG 1 1.675 0.517 -0.046 0.00 0.00 +0.004 A ATOM 4 C LIG 1 1.713 -0.863 0.123 0.00 0.00 +0.047 A ATOM 5 N LIG 1 0.424 -1.272 0.374 0.00 0.00 -0.354 N ATOM 6 H LIG 1 0.150 -2.234 0.513 0.00 0.00 +0.166 HD ATOM 7 C LIG 1 -0.443 -0.201 0.391 0.00 0.00 +0.048 A ATOM 8 C LIG 1 2.897 -1.601 0.027 0.00 0.00 +0.030 A ATOM 9 C LIG 1 0.321 0.920 0.118 0.00 0.00 +0.036 A ATOM 10 C LIG 1 4.080 -0.900 -0.250 0.00 0.00 +0.047 A ENDROOT BRANCH 7 11 ATOM 11 C LIG 1 -1.869 -0.346 0.667 0.00 0.00 +0.011 A ATOM 12 C LIG 1 -2.878 0.218 -0.106 0.00 0.00 +0.050 A ATOM 13 C LIG 1 -2.830 1.022 -1.346 0.00 0.00 +0.245 C ATOM 14 N LIG 1 -4.134 1.317 -1.686 0.00 0.00 -0.307 N ATOM 15 H LIG 1 -4.341 1.852 -2.519 0.00 0.00 +0.149 HD ATOM 16 C LIG 1 -5.098 0.759 -0.782 0.00 0.00 +0.140 C ATOM 17 O LIG 1 -1.857 1.372 -1.982 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 -4.237 0.058 0.213 0.00 0.00 -0.018 A ATOM 19 C LIG 1 -4.632 -0.673 1.321 0.00 0.00 +0.006 A ATOM 20 C LIG 1 -3.640 -1.246 2.115 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -2.280 -1.085 1.793 0.00 0.00 +0.011 A ENDBRANCH 7 11 BRANCH 1 23 ATOM 22 C LIG 1 6.416 0.588 -0.851 0.00 0.00 +0.277 C ATOM 23 O LIG 1 5.173 1.260 -0.698 0.00 0.00 -0.495 OA ENDBRANCH 1 23 TORSDOF 2