REMARK Name = BDB057592 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.788 -0.684 -1.196 0.00 0.00 +0.146 A ATOM 2 C LIG 1 -0.569 -0.743 -1.446 0.00 0.00 +0.100 A ATOM 3 C LIG 1 -0.675 -1.691 -2.513 0.00 0.00 +0.074 A ATOM 4 C LIG 1 -1.878 -2.116 -3.274 0.00 0.00 +0.068 C ATOM 5 N LIG 1 0.513 -2.220 -2.841 0.00 0.00 -0.177 NA ATOM 6 N LIG 1 1.378 -1.582 -2.033 0.00 0.00 -0.262 N ATOM 7 H LIG 1 2.369 -1.780 -2.089 0.00 0.00 +0.190 HD ENDROOT BRANCH 2 8 ATOM 8 C LIG 1 -1.562 0.052 -0.743 0.00 0.00 +0.249 C ATOM 9 N LIG 1 -2.852 -0.436 -0.787 0.00 0.00 -0.311 N ATOM 10 H LIG 1 -2.949 -1.418 -1.002 0.00 0.00 +0.149 HD ATOM 11 O LIG 1 -1.258 1.061 -0.110 0.00 0.00 -0.270 OA BRANCH 9 12 ATOM 12 C LIG 1 -3.896 0.172 0.019 0.00 0.00 +0.109 C BRANCH 12 13 ATOM 13 C LIG 1 -5.287 -0.231 -0.468 0.00 0.00 +0.054 C BRANCH 13 14 ATOM 14 C LIG 1 -6.377 0.369 0.381 0.00 0.00 -0.046 A ATOM 15 C LIG 1 -6.897 -0.335 1.476 0.00 0.00 +0.004 A ATOM 16 C LIG 1 -7.893 0.232 2.272 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -8.376 1.507 1.984 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -7.862 2.218 0.902 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -6.865 1.653 0.104 0.00 0.00 +0.004 A ENDBRANCH 13 14 ENDBRANCH 12 13 ENDBRANCH 9 12 ENDBRANCH 2 8 BRANCH 1 20 ATOM 20 N LIG 1 1.520 0.057 -0.335 0.00 0.00 -0.221 N ATOM 21 H LIG 1 1.019 0.774 0.205 0.00 0.00 +0.176 HD BRANCH 20 23 ATOM 22 C LIG 1 3.427 0.789 0.571 0.00 0.00 +0.138 C ATOM 23 N LIG 1 2.875 -0.032 -0.267 0.00 0.00 -0.189 NA BRANCH 22 27 ATOM 24 C LIG 1 7.656 0.946 1.192 0.00 0.00 +0.120 A ATOM 25 C LIG 1 6.795 1.794 1.897 0.00 0.00 +0.046 A ATOM 26 C LIG 1 5.414 1.742 1.693 0.00 0.00 +0.013 A ATOM 27 C LIG 1 4.888 0.832 0.775 0.00 0.00 -0.005 A ATOM 28 C LIG 1 5.740 -0.019 0.066 0.00 0.00 +0.013 A ATOM 29 C LIG 1 7.123 0.039 0.275 0.00 0.00 +0.046 A BRANCH 24 31 ATOM 30 C LIG 1 9.900 0.269 0.798 0.00 0.00 +0.277 C ATOM 31 O LIG 1 8.981 1.104 1.490 0.00 0.00 -0.495 OA ENDBRANCH 24 31 ENDBRANCH 22 27 ENDBRANCH 20 23 ENDBRANCH 1 20 TORSDOF 8