REMARK Name = BDB027769 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.619 0.566 -0.129 0.00 0.00 +0.133 A ATOM 2 C LIG 1 -0.130 1.611 0.673 0.00 0.00 +0.043 A ATOM 3 C LIG 1 1.259 1.674 0.789 0.00 0.00 +0.095 A ATOM 4 C LIG 1 1.754 2.698 1.583 0.00 0.00 +0.139 A ATOM 5 N LIG 1 1.017 3.635 2.237 0.00 0.00 -0.261 NA ATOM 6 C LIG 1 -0.317 3.552 2.089 0.00 0.00 +0.111 A ATOM 7 N LIG 1 2.087 0.814 0.176 0.00 0.00 -0.224 NA ATOM 8 C LIG 1 1.516 -0.128 -0.582 0.00 0.00 +0.180 A ATOM 9 C LIG 1 -0.930 2.576 1.328 0.00 0.00 +0.033 A ATOM 10 N LIG 1 0.201 -0.287 -0.771 0.00 0.00 -0.210 NA ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 2.375 -1.078 -1.270 0.00 0.00 +0.105 A ATOM 12 N LIG 1 3.753 -1.099 -1.250 0.00 0.00 -0.264 N ATOM 13 C LIG 1 4.657 -0.206 -0.561 0.00 0.00 +0.173 C ATOM 14 N LIG 1 4.289 -2.100 -1.985 0.00 0.00 -0.179 NA ATOM 15 C LIG 1 3.230 -2.735 -2.485 0.00 0.00 +0.135 A ATOM 16 C LIG 1 2.024 -2.149 -2.078 0.00 0.00 +0.052 A ENDBRANCH 8 11 BRANCH 1 18 ATOM 17 C LIG 1 -2.379 0.308 -1.691 0.00 0.00 +0.131 C ATOM 18 N LIG 1 -2.032 0.401 -0.268 0.00 0.00 -0.312 N BRANCH 18 19 ATOM 19 C LIG 1 -2.646 -0.685 0.581 0.00 0.00 +0.033 C ATOM 20 C LIG 1 -4.109 -0.523 0.950 0.00 0.00 +0.028 C ATOM 21 C LIG 1 -3.057 -0.350 2.001 0.00 0.00 +0.028 C ATOM 22 C LIG 1 -2.157 -2.102 0.346 0.00 0.00 +0.032 C ENDBRANCH 18 19 ENDBRANCH 1 18 TORSDOF 3