REMARK Name = BDB000335 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.660 0.709 -3.542 0.00 0.00 +0.133 C ATOM 2 N LIG 1 -0.626 1.584 -2.948 0.00 0.00 -0.263 N ATOM 3 C LIG 1 -0.757 2.975 -3.137 0.00 0.00 +0.234 C ATOM 4 O LIG 1 -0.358 3.833 -2.348 0.00 0.00 -0.274 OA ATOM 5 C LIG 1 -1.357 3.425 -4.479 0.00 0.00 +0.178 C ATOM 6 N LIG 1 -2.480 2.602 -4.957 0.00 0.00 -0.306 NA ATOM 7 H LIG 1 -3.282 2.751 -4.346 0.00 0.00 +0.122 HD ATOM 8 C LIG 1 -2.077 1.196 -4.949 0.00 0.00 +0.107 C ENDROOT BRANCH 2 9 ATOM 9 C LIG 1 0.326 1.028 -2.014 0.00 0.00 +0.037 A ATOM 10 C LIG 1 1.431 1.771 -1.574 0.00 0.00 +0.027 A ATOM 11 C LIG 1 2.379 1.229 -0.696 0.00 0.00 +0.047 A ATOM 12 C LIG 1 2.262 -0.079 -0.239 0.00 0.00 +0.121 A ATOM 13 C LIG 1 1.182 -0.841 -0.667 0.00 0.00 +0.047 A ATOM 14 C LIG 1 0.233 -0.295 -1.549 0.00 0.00 +0.027 A BRANCH 12 15 ATOM 15 O LIG 1 3.253 -0.483 0.608 0.00 0.00 -0.492 OA BRANCH 15 16 ATOM 16 C LIG 1 3.242 -1.846 1.032 0.00 0.00 +0.231 C BRANCH 16 17 ATOM 17 C LIG 1 4.477 -2.111 1.891 0.00 0.00 +0.069 C BRANCH 17 18 ATOM 18 C LIG 1 5.745 -2.360 1.069 0.00 0.00 +0.163 C BRANCH 18 19 ATOM 19 O LIG 1 5.991 -1.383 0.063 0.00 0.00 -0.375 OA BRANCH 19 20 ATOM 20 C LIG 1 6.481 -0.137 0.568 0.00 0.00 +0.198 C BRANCH 20 21 ATOM 21 C LIG 1 7.965 -0.201 0.858 0.00 0.00 +0.020 A ATOM 22 C LIG 1 8.502 0.229 2.085 0.00 0.00 +0.125 A ATOM 23 C LIG 1 9.886 0.164 2.290 0.00 0.00 +0.046 A ATOM 24 C LIG 1 10.733 -0.314 1.287 0.00 0.00 +0.004 A ATOM 25 C LIG 1 10.207 -0.733 0.069 0.00 0.00 +0.001 A ATOM 26 C LIG 1 8.832 -0.674 -0.144 0.00 0.00 +0.009 A BRANCH 22 27 ATOM 27 O LIG 1 7.601 0.681 3.013 0.00 0.00 -0.495 OA ATOM 28 C LIG 1 8.121 1.218 4.223 0.00 0.00 +0.277 C ENDBRANCH 22 27 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 12 15 ENDBRANCH 2 9 BRANCH 1 29 ATOM 29 C LIG 1 -2.891 0.586 -2.612 0.00 0.00 +0.253 C BRANCH 29 30 ATOM 30 O LIG 1 -3.773 -0.415 -3.143 0.00 0.00 -0.490 OA BRANCH 30 36 ATOM 31 N LIG 1 -6.592 -1.760 0.594 0.00 0.00 -0.265 N ATOM 32 C LIG 1 -6.383 -1.089 -0.647 0.00 0.00 +0.082 A ATOM 33 C LIG 1 -7.440 -0.371 -1.232 0.00 0.00 +0.143 A ATOM 34 C LIG 1 -7.264 0.330 -2.430 0.00 0.00 +0.051 A ATOM 35 C LIG 1 -6.032 0.311 -3.075 0.00 0.00 +0.049 A ATOM 36 C LIG 1 -4.977 -0.382 -2.496 0.00 0.00 +0.123 A ATOM 37 O LIG 1 -8.682 -0.253 -0.670 0.00 0.00 -0.481 OA ATOM 38 C LIG 1 -8.978 -1.290 0.244 0.00 0.00 +0.325 C ATOM 39 C LIG 1 -5.144 -1.089 -1.303 0.00 0.00 +0.072 A ATOM 40 C LIG 1 -7.865 -1.788 1.155 0.00 0.00 +0.258 C ATOM 41 O LIG 1 -8.108 -2.242 2.274 0.00 0.00 -0.272 OA BRANCH 31 42 ATOM 42 C LIG 1 -5.490 -2.371 1.336 0.00 0.00 +0.116 C BRANCH 42 43 ATOM 43 C LIG 1 -4.630 -1.369 2.106 0.00 0.00 +0.047 C BRANCH 43 44 ATOM 44 C LIG 1 -5.380 -0.694 3.248 0.00 0.00 +0.161 C BRANCH 44 46 ATOM 45 C LIG 1 -5.082 0.815 5.032 0.00 0.00 +0.193 C ATOM 46 O LIG 1 -4.454 0.135 3.953 0.00 0.00 -0.383 OA ENDBRANCH 44 46 ENDBRANCH 43 44 ENDBRANCH 42 43 ENDBRANCH 31 42 ENDBRANCH 30 36 ENDBRANCH 29 30 ENDBRANCH 1 29 TORSDOF 16