REMARK Name = BDB055736 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.106 1.578 -1.633 0.00 0.00 -0.307 N ATOM 2 H LIG 1 0.192 0.956 -2.426 0.00 0.00 +0.149 HD ATOM 3 C LIG 1 1.180 1.653 -0.769 0.00 0.00 +0.215 C ATOM 4 O LIG 1 1.355 2.583 0.008 0.00 0.00 -0.276 OA ENDROOT BRANCH 1 5 ATOM 5 C LIG 1 -0.778 2.721 -1.782 0.00 0.00 +0.200 C BRANCH 5 10 ATOM 6 N LIG 1 -4.758 0.373 0.313 0.00 0.00 -0.327 N ATOM 7 C LIG 1 -3.437 -0.274 0.312 0.00 0.00 +0.124 C ATOM 8 C LIG 1 -2.381 0.612 -0.387 0.00 0.00 +0.126 C ATOM 9 N LIG 1 -2.392 2.014 0.042 0.00 0.00 -0.297 N ATOM 10 C LIG 1 -1.752 3.046 -0.631 0.00 0.00 +0.233 C ATOM 11 O LIG 1 -2.057 4.227 -0.424 0.00 0.00 -0.274 OA ATOM 12 C LIG 1 -3.395 2.342 1.058 0.00 0.00 +0.126 C ATOM 13 C LIG 1 -4.786 1.816 0.659 0.00 0.00 +0.124 C BRANCH 6 17 ATOM 14 C LIG 1 -8.338 -1.853 0.818 0.00 0.00 +0.120 A ATOM 15 C LIG 1 -8.379 -0.520 0.426 0.00 0.00 +0.047 A ATOM 16 C LIG 1 -7.186 0.204 0.267 0.00 0.00 +0.027 A ATOM 17 C LIG 1 -5.923 -0.367 0.495 0.00 0.00 +0.030 A ATOM 18 C LIG 1 -5.913 -1.714 0.881 0.00 0.00 +0.027 A ATOM 19 C LIG 1 -7.099 -2.445 1.044 0.00 0.00 +0.047 A BRANCH 14 21 ATOM 20 C LIG 1 -10.698 -2.116 0.757 0.00 0.00 +0.277 C ATOM 21 O LIG 1 -9.414 -2.674 1.009 0.00 0.00 -0.495 OA ENDBRANCH 14 21 ENDBRANCH 6 17 ENDBRANCH 5 10 ENDBRANCH 1 5 BRANCH 3 22 ATOM 22 C LIG 1 2.108 0.460 -0.876 0.00 0.00 +0.111 C BRANCH 22 23 ATOM 23 C LIG 1 3.225 0.534 0.170 0.00 0.00 +0.094 C BRANCH 23 24 ATOM 24 N LIG 1 4.101 -0.658 0.130 0.00 0.00 -0.293 NA ATOM 25 C LIG 1 4.991 -0.653 -1.062 0.00 0.00 +0.105 C ATOM 26 C LIG 1 4.753 -1.911 -1.920 0.00 0.00 +0.128 C ATOM 27 N LIG 1 5.561 -1.876 -3.126 0.00 0.00 -0.310 N ATOM 28 H LIG 1 5.298 -2.428 -3.934 0.00 0.00 +0.149 HD ATOM 29 C LIG 1 6.881 -1.488 -3.106 0.00 0.00 +0.244 C ATOM 30 C LIG 1 7.383 -0.870 -1.845 0.00 0.00 +0.042 A ATOM 31 C LIG 1 8.755 -0.658 -1.684 0.00 0.00 +0.013 A ATOM 32 C LIG 1 9.241 -0.131 -0.487 0.00 0.00 +0.001 A ATOM 33 C LIG 1 8.363 0.160 0.559 0.00 0.00 +0.004 A ATOM 34 C LIG 1 6.990 -0.061 0.408 0.00 0.00 -0.041 A ATOM 35 C LIG 1 6.029 0.173 1.538 0.00 0.00 +0.051 C ATOM 36 O LIG 1 7.604 -1.663 -4.079 0.00 0.00 -0.270 OA ATOM 37 C LIG 1 6.487 -0.538 -0.811 0.00 0.00 -0.013 A ATOM 38 C LIG 1 4.848 -0.796 1.395 0.00 0.00 +0.089 C ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 3 22 TORSDOF 7