REMARK Name = BDB053992 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.263 -2.361 2.765 0.00 0.00 +0.122 A ATOM 2 C LIG 1 -1.040 -2.424 1.603 0.00 0.00 +0.052 A ATOM 3 C LIG 1 -2.014 -1.460 1.438 0.00 0.00 -0.012 A ATOM 4 C LIG 1 -2.903 -1.312 0.324 0.00 0.00 +0.120 C ATOM 5 N LIG 1 -3.906 -0.501 -0.139 0.00 0.00 -0.268 N ATOM 6 C LIG 1 -4.195 0.649 0.861 0.00 0.00 +0.203 C ATOM 7 C LIG 1 -3.278 0.447 2.034 0.00 0.00 +0.051 C ATOM 8 C LIG 1 -4.652 -0.674 -1.299 0.00 0.00 +0.250 C ATOM 9 O LIG 1 -4.519 -1.621 -2.071 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 -2.232 -0.456 2.415 0.00 0.00 -0.031 A ATOM 11 C LIG 1 -1.479 -0.408 3.574 0.00 0.00 +0.008 A ATOM 12 C LIG 1 -0.489 -1.380 3.751 0.00 0.00 +0.046 A ENDROOT BRANCH 6 13 ATOM 13 C LIG 1 -4.051 2.085 0.258 0.00 0.00 +0.377 C ATOM 14 O LIG 1 -3.023 2.305 -0.444 0.00 0.00 -0.244 OA ATOM 15 O LIG 1 -5.028 2.864 0.493 0.00 0.00 -0.244 OA ENDBRANCH 6 13 BRANCH 8 16 ATOM 16 C LIG 1 -5.671 0.302 -1.604 0.00 0.00 +0.058 C ATOM 17 C LIG 1 -6.441 1.209 -1.763 0.00 0.00 +0.004 C BRANCH 17 18 ATOM 18 C LIG 1 -7.274 2.501 -1.774 0.00 0.00 -0.008 C ATOM 19 C LIG 1 -7.916 3.624 -1.709 0.00 0.00 -0.044 C ATOM 20 C LIG 1 -7.897 4.560 -2.948 0.00 0.00 +0.026 C ATOM 21 C LIG 1 -9.200 3.688 -0.839 0.00 0.00 +0.026 C ENDBRANCH 17 18 ENDBRANCH 8 16 BRANCH 1 22 ATOM 22 O LIG 1 0.718 -3.294 3.000 0.00 0.00 -0.476 OA BRANCH 22 23 ATOM 23 C LIG 1 1.763 -3.074 2.201 0.00 0.00 +0.212 C BRANCH 23 24 ATOM 24 C LIG 1 2.956 -2.793 1.268 0.00 0.00 +0.096 C BRANCH 24 29 ATOM 25 C LIG 1 5.502 -1.355 -0.569 0.00 0.00 +0.229 A ATOM 26 O LIG 1 5.667 -2.599 -1.097 0.00 0.00 -0.439 OA ATOM 27 C LIG 1 4.710 -3.346 -0.464 0.00 0.00 +0.139 A ATOM 28 C LIG 1 4.492 -4.852 -0.705 0.00 0.00 +0.074 C ATOM 29 C LIG 1 4.039 -2.505 0.397 0.00 0.00 +0.096 A ATOM 30 N LIG 1 4.556 -1.233 0.336 0.00 0.00 -0.213 NA BRANCH 25 32 ATOM 31 C LIG 1 7.089 0.536 -1.433 0.00 0.00 -0.021 C ATOM 32 C LIG 1 6.364 -0.336 -1.038 0.00 0.00 +0.053 C BRANCH 31 33 ATOM 33 C LIG 1 8.009 1.660 -1.943 0.00 0.00 +0.026 C BRANCH 33 34 ATOM 34 C LIG 1 8.923 2.786 -2.462 0.00 0.00 +0.005 C BRANCH 34 36 ATOM 35 C LIG 1 10.041 3.933 -4.447 0.00 0.00 +0.000 C ATOM 36 C LIG 1 9.758 3.818 -2.942 0.00 0.00 +0.000 C ATOM 37 C LIG 1 10.521 4.710 -1.952 0.00 0.00 +0.000 C ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 31 33 ENDBRANCH 25 32 ENDBRANCH 24 29 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 11