REMARK Name = BDB034136 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.037 -1.061 1.358 0.00 0.00 +0.247 C ATOM 2 N LIG 1 1.091 -0.912 0.546 0.00 0.00 -0.297 N ATOM 3 C LIG 1 2.063 -2.002 0.525 0.00 0.00 +0.111 C ATOM 4 C LIG 1 3.475 -1.500 0.241 0.00 0.00 +0.063 C ATOM 5 C LIG 1 3.561 -0.590 -0.998 0.00 0.00 +0.176 C ATOM 6 C LIG 1 2.183 -0.307 -1.600 0.00 0.00 +0.063 C ATOM 7 C LIG 1 1.189 0.089 -0.519 0.00 0.00 +0.111 C ATOM 8 O LIG 1 -0.274 -2.075 2.012 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 13 ATOM 9 C LIG 1 -3.349 0.783 1.291 0.00 0.00 -0.002 A ATOM 10 C LIG 1 -2.902 2.097 1.508 0.00 0.00 +0.124 A ATOM 11 C LIG 1 -1.555 2.369 1.779 0.00 0.00 +0.046 A ATOM 12 C LIG 1 -0.610 1.348 1.743 0.00 0.00 +0.016 A ATOM 13 C LIG 1 -1.017 0.051 1.431 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.377 -0.235 1.244 0.00 0.00 +0.020 A BRANCH 9 18 ATOM 15 C LIG 1 -6.521 -2.108 0.876 0.00 0.00 -0.006 C ATOM 16 C LIG 1 -6.668 -1.055 1.999 0.00 0.00 +0.004 C ATOM 17 C LIG 1 -5.329 -0.406 2.336 0.00 0.00 +0.008 C ATOM 18 C LIG 1 -4.827 0.442 1.153 0.00 0.00 +0.023 C ATOM 19 C LIG 1 -5.170 -0.195 -0.212 0.00 0.00 +0.008 C ATOM 20 C LIG 1 -5.424 -1.702 -0.141 0.00 0.00 +0.004 C BRANCH 15 22 ATOM 21 C LIG 1 -8.947 -2.820 1.312 0.00 0.00 +0.011 C ATOM 22 C LIG 1 -7.890 -2.530 0.223 0.00 0.00 -0.035 C ATOM 23 C LIG 1 -7.705 -3.836 -0.585 0.00 0.00 +0.011 C ATOM 24 C LIG 1 -8.450 -1.449 -0.719 0.00 0.00 +0.011 C ENDBRANCH 15 22 ENDBRANCH 9 18 BRANCH 10 25 ATOM 25 O LIG 1 -3.753 3.171 1.550 0.00 0.00 -0.487 OA BRANCH 25 26 ATOM 26 C LIG 1 -4.110 3.624 0.237 0.00 0.00 +0.188 C ATOM 27 C LIG 1 -2.981 4.337 -0.505 0.00 0.00 +0.125 C ATOM 28 N LIG 1 -3.688 5.226 -1.427 0.00 0.00 -0.312 NA ATOM 29 H LIG 1 -3.072 5.967 -1.758 0.00 0.00 +0.122 HD ATOM 30 C LIG 1 -4.791 5.788 -0.649 0.00 0.00 +0.084 C ATOM 31 C LIG 1 -5.170 4.720 0.373 0.00 0.00 +0.061 C ENDBRANCH 25 26 ENDBRANCH 10 25 ENDBRANCH 1 13 BRANCH 5 32 ATOM 32 O LIG 1 4.330 -1.200 -2.038 0.00 0.00 -0.488 OA BRANCH 32 33 ATOM 33 C LIG 1 5.694 -1.267 -1.946 0.00 0.00 +0.137 A ATOM 34 C LIG 1 6.353 -2.027 -2.921 0.00 0.00 +0.100 A ATOM 35 C LIG 1 7.748 -2.104 -2.944 0.00 0.00 +0.020 A ATOM 36 C LIG 1 8.498 -1.448 -1.966 0.00 0.00 +0.024 A ATOM 37 C LIG 1 7.877 -0.696 -0.960 0.00 0.00 +0.033 A ATOM 38 C LIG 1 6.468 -0.614 -0.977 0.00 0.00 +0.069 A BRANCH 37 39 ATOM 39 N LIG 1 8.586 -0.031 0.047 0.00 0.00 -0.327 N ATOM 40 C LIG 1 8.435 1.446 0.014 0.00 0.00 +0.120 C ATOM 41 C LIG 1 9.524 2.149 0.859 0.00 0.00 +0.100 C ATOM 42 N LIG 1 10.913 1.835 0.470 0.00 0.00 -0.313 NA ATOM 43 H LIG 1 11.219 2.477 -0.261 0.00 0.00 +0.122 HD ATOM 44 C LIG 1 11.030 0.455 -0.043 0.00 0.00 +0.100 C ATOM 45 C LIG 1 9.927 -0.505 0.450 0.00 0.00 +0.120 C ENDBRANCH 37 39 BRANCH 34 46 ATOM 46 C LIG 1 5.622 -2.763 -3.967 0.00 0.00 +0.340 C ATOM 47 O LIG 1 5.856 -2.722 -5.160 0.00 0.00 -0.245 OA BRANCH 46 48 ATOM 48 O LIG 1 4.705 -3.596 -3.445 0.00 0.00 -0.477 OA ATOM 49 H LIG 1 4.311 -4.037 -4.224 0.00 0.00 +0.295 HD ENDBRANCH 46 48 ENDBRANCH 34 46 ENDBRANCH 32 33 ENDBRANCH 5 32 TORSDOF 10