REMARK Name = BDB019781 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.591 0.669 -0.419 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -0.213 1.760 -0.777 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -1.605 1.727 -0.593 0.00 0.00 -0.013 A ATOM 4 C LIG 1 -2.173 0.569 -0.035 0.00 0.00 +0.013 A ATOM 5 C LIG 1 -1.386 -0.537 0.323 0.00 0.00 -0.029 A ATOM 6 C LIG 1 0.000 -0.482 0.115 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -2.446 2.880 -0.971 0.00 0.00 +0.027 A ATOM 8 C LIG 1 -3.478 2.783 -1.930 0.00 0.00 +0.128 A ATOM 9 C LIG 1 -4.245 3.914 -2.238 0.00 0.00 +0.050 A ATOM 10 C LIG 1 -3.997 5.141 -1.612 0.00 0.00 +0.049 A ATOM 11 C LIG 1 -2.980 5.254 -0.670 0.00 0.00 +0.121 A ATOM 12 C LIG 1 -2.216 4.127 -0.357 0.00 0.00 +0.057 A BRANCH 8 13 ATOM 13 O LIG 1 -3.659 1.552 -2.509 0.00 0.00 -0.494 OA ATOM 14 C LIG 1 -4.594 1.450 -3.574 0.00 0.00 +0.277 C ENDBRANCH 8 13 BRANCH 11 15 ATOM 15 O LIG 1 -2.636 6.387 0.013 0.00 0.00 -0.495 OA ATOM 16 C LIG 1 -3.363 7.570 -0.294 0.00 0.00 +0.277 C ENDBRANCH 11 15 ENDBRANCH 3 7 BRANCH 1 19 ATOM 17 N LIG 1 2.860 -0.030 0.127 0.00 0.00 -0.306 N ATOM 18 H LIG 1 2.500 -0.523 0.936 0.00 0.00 +0.149 HD ATOM 19 C LIG 1 2.060 0.769 -0.651 0.00 0.00 +0.244 C ATOM 20 O LIG 1 2.511 1.553 -1.479 0.00 0.00 -0.270 OA BRANCH 17 21 ATOM 21 C LIG 1 4.301 0.053 0.055 0.00 0.00 +0.160 C BRANCH 21 24 ATOM 22 C LIG 1 6.940 -1.991 1.840 0.00 0.00 +0.123 A ATOM 23 C LIG 1 6.343 -1.119 0.936 0.00 0.00 +0.070 A ATOM 24 C LIG 1 4.966 -0.910 1.016 0.00 0.00 +0.062 A ATOM 25 N LIG 1 4.183 -1.515 1.952 0.00 0.00 -0.258 NA ATOM 26 C LIG 1 4.794 -2.354 2.815 0.00 0.00 +0.114 A ATOM 27 C LIG 1 6.150 -2.619 2.797 0.00 0.00 +0.065 A BRANCH 22 29 ATOM 28 C LIG 1 9.120 -1.699 0.932 0.00 0.00 +0.277 C ATOM 29 O LIG 1 8.269 -2.308 1.897 0.00 0.00 -0.495 OA ENDBRANCH 22 29 ENDBRANCH 21 24 ENDBRANCH 17 21 ENDBRANCH 1 19 BRANCH 5 30 ATOM 30 C LIG 1 -2.029 -1.788 0.870 0.00 0.00 +0.139 C BRANCH 30 31 ATOM 31 N LIG 1 -2.152 -2.767 -0.191 0.00 0.00 -0.313 N ATOM 32 H LIG 1 -2.493 -2.349 -1.054 0.00 0.00 +0.149 HD BRANCH 31 33 ATOM 33 C LIG 1 -2.759 -3.955 0.005 0.00 0.00 +0.176 C ATOM 34 N LIG 1 -2.473 -4.628 1.150 0.00 0.00 -0.316 N ATOM 35 H LIG 1 -1.492 -4.582 1.399 0.00 0.00 +0.149 HD ATOM 36 C LIG 1 -2.995 -5.969 0.987 0.00 0.00 +0.127 C ATOM 37 C LIG 1 -3.960 -5.783 -0.188 0.00 0.00 +0.163 C ATOM 38 N LIG 1 -3.567 -4.508 -0.851 0.00 0.00 -0.255 NA ENDBRANCH 31 33 ENDBRANCH 30 31 ENDBRANCH 5 30 TORSDOF 10