REMARK Name = BDB060940 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.263 -1.269 1.374 0.00 0.00 +0.082 A ATOM 2 C LIG 1 -1.251 -0.389 0.958 0.00 0.00 +0.127 A ATOM 3 N LIG 1 -2.100 -1.154 0.172 0.00 0.00 -0.288 N ATOM 4 C LIG 1 -1.534 -2.419 0.085 0.00 0.00 +0.140 A ATOM 5 C LIG 1 -2.212 -3.391 -0.704 0.00 0.00 +0.055 A ATOM 6 C LIG 1 -3.384 -3.098 -1.317 0.00 0.00 -0.008 A ATOM 7 C LIG 1 -3.959 -1.753 -1.161 0.00 0.00 +0.027 A ATOM 8 C LIG 1 -3.314 -0.828 -0.431 0.00 0.00 +0.095 A ATOM 9 N LIG 1 -0.436 -2.511 0.802 0.00 0.00 -0.231 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -4.079 -4.069 -2.106 0.00 0.00 +0.047 A ATOM 11 C LIG 1 -3.587 -4.737 -3.204 0.00 0.00 +0.142 A ATOM 12 C LIG 1 -2.308 -4.732 -3.940 0.00 0.00 +0.090 C ATOM 13 O LIG 1 -4.548 -5.574 -3.681 0.00 0.00 -0.359 OA ATOM 14 N LIG 1 -5.688 -5.463 -2.908 0.00 0.00 -0.083 NA ATOM 15 C LIG 1 -5.401 -4.564 -1.958 0.00 0.00 +0.088 A ATOM 16 C LIG 1 -6.418 -4.222 -0.936 0.00 0.00 +0.070 C ENDBRANCH 6 10 BRANCH 2 17 ATOM 17 N LIG 1 -1.522 0.915 1.278 0.00 0.00 -0.324 N ATOM 18 H LIG 1 -1.280 1.139 2.245 0.00 0.00 +0.148 HD BRANCH 17 19 ATOM 19 C LIG 1 -1.042 2.053 0.421 0.00 0.00 +0.028 C ATOM 20 C LIG 1 0.357 2.449 0.913 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -0.953 1.661 -1.067 0.00 0.00 +0.031 C BRANCH 19 22 ATOM 22 C LIG 1 -2.113 3.175 0.643 0.00 0.00 +0.031 C BRANCH 22 23 ATOM 23 C LIG 1 -1.894 4.677 0.276 0.00 0.00 -0.036 C ATOM 24 C LIG 1 -0.979 5.390 1.289 0.00 0.00 +0.010 C ATOM 25 C LIG 1 -3.279 5.367 0.361 0.00 0.00 +0.010 C ATOM 26 C LIG 1 -1.355 4.898 -1.141 0.00 0.00 +0.010 C ENDBRANCH 22 23 ENDBRANCH 19 22 ENDBRANCH 17 19 ENDBRANCH 2 17 BRANCH 1 27 ATOM 27 C LIG 1 0.882 -1.044 2.300 0.00 0.00 +0.059 C BRANCH 27 28 ATOM 28 C LIG 1 2.231 -1.117 1.583 0.00 0.00 +0.011 C BRANCH 28 29 ATOM 29 C LIG 1 3.381 -0.831 2.548 0.00 0.00 +0.035 C BRANCH 29 33 ATOM 30 C LIG 1 7.185 -0.795 0.493 0.00 0.00 +0.120 A ATOM 31 C LIG 1 6.487 0.394 0.701 0.00 0.00 +0.046 A ATOM 32 C LIG 1 5.258 0.382 1.369 0.00 0.00 +0.007 A ATOM 33 C LIG 1 4.714 -0.819 1.843 0.00 0.00 -0.047 A ATOM 34 C LIG 1 5.414 -2.010 1.626 0.00 0.00 +0.007 A ATOM 35 C LIG 1 6.641 -1.994 0.958 0.00 0.00 +0.046 A BRANCH 30 37 ATOM 36 C LIG 1 8.972 0.268 -0.659 0.00 0.00 +0.277 C ATOM 37 O LIG 1 8.390 -0.922 -0.143 0.00 0.00 -0.495 OA ENDBRANCH 30 37 ENDBRANCH 29 33 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 1 27 TORSDOF 10