REMARK Name = BDB038781 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.675 -0.122 0.710 0.00 0.00 +0.162 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.734 -0.093 0.065 0.00 0.00 +0.234 C ATOM 3 N LIG 1 1.507 0.994 0.424 0.00 0.00 -0.302 N ATOM 4 H LIG 1 1.228 1.493 1.262 0.00 0.00 +0.150 HD ATOM 5 O LIG 1 1.140 -0.976 -0.690 0.00 0.00 -0.274 OA BRANCH 3 6 ATOM 6 C LIG 1 2.947 1.003 0.156 0.00 0.00 +0.163 C BRANCH 6 7 ATOM 7 C LIG 1 3.630 0.552 1.462 0.00 0.00 +0.231 C ATOM 8 O LIG 1 3.104 0.674 2.568 0.00 0.00 -0.274 OA ATOM 9 N LIG 1 4.885 0.031 1.345 0.00 0.00 -0.328 N ATOM 10 H LIG 1 5.419 0.091 0.486 0.00 0.00 +0.145 HD ATOM 11 H LIG 1 5.377 -0.207 2.196 0.00 0.00 +0.145 HD ENDBRANCH 6 7 BRANCH 6 12 ATOM 12 C LIG 1 3.408 2.412 -0.243 0.00 0.00 +0.067 C BRANCH 12 13 ATOM 13 C LIG 1 4.814 2.454 -0.795 0.00 0.00 -0.045 A ATOM 14 C LIG 1 5.096 1.914 -2.058 0.00 0.00 +0.004 A ATOM 15 C LIG 1 6.400 1.927 -2.556 0.00 0.00 +0.000 A ATOM 16 C LIG 1 7.431 2.482 -1.801 0.00 0.00 +0.000 A ATOM 17 C LIG 1 7.159 3.028 -0.548 0.00 0.00 +0.000 A ATOM 18 C LIG 1 5.857 3.016 -0.047 0.00 0.00 +0.004 A ENDBRANCH 12 13 ENDBRANCH 6 12 ENDBRANCH 3 6 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 N LIG 1 -1.495 -1.077 -0.021 0.00 0.00 -0.302 N ATOM 20 H LIG 1 -1.121 -2.022 -0.116 0.00 0.00 +0.150 HD ATOM 21 C LIG 1 -2.164 -0.688 -1.169 0.00 0.00 +0.231 C ATOM 22 O LIG 1 -2.363 0.483 -1.473 0.00 0.00 -0.274 OA BRANCH 21 23 ATOM 23 C LIG 1 -2.648 -1.887 -2.013 0.00 0.00 +0.144 C BRANCH 23 24 ATOM 24 N LIG 1 -1.603 -2.955 -1.945 0.00 0.00 -0.320 NA ATOM 25 H LIG 1 -0.733 -2.563 -2.320 0.00 0.00 +0.119 HD ATOM 26 H LIG 1 -1.869 -3.694 -2.598 0.00 0.00 +0.119 HD ENDBRANCH 23 24 BRANCH 23 27 ATOM 27 C LIG 1 -3.981 -2.414 -1.466 0.00 0.00 +0.084 C BRANCH 27 28 ATOM 28 C LIG 1 -5.125 -1.524 -1.810 0.00 0.00 +0.061 A ATOM 29 N LIG 1 -5.806 -1.687 -2.995 0.00 0.00 -0.241 NA ATOM 30 C LIG 1 -6.722 -0.745 -3.003 0.00 0.00 +0.199 A ATOM 31 N LIG 1 -6.663 0.015 -1.873 0.00 0.00 -0.340 N ATOM 32 C LIG 1 -7.508 1.142 -1.574 0.00 0.00 +0.150 C ATOM 33 C LIG 1 -5.657 -0.473 -1.092 0.00 0.00 +0.110 A ENDBRANCH 27 28 ENDBRANCH 23 27 ENDBRANCH 21 23 ENDBRANCH 1 19 BRANCH 1 34 ATOM 34 C LIG 1 -0.607 -0.447 2.224 0.00 0.00 +0.015 C ATOM 35 C LIG 1 -1.991 -0.260 2.860 0.00 0.00 +0.010 C BRANCH 34 37 ATOM 36 C LIG 1 0.229 -2.114 3.982 0.00 0.00 +0.004 C ATOM 37 C LIG 1 -0.038 -1.855 2.505 0.00 0.00 +0.002 C ENDBRANCH 34 37 ENDBRANCH 1 34 TORSDOF 12