REMARK Name = BDB034946 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.189 2.801 -1.324 0.00 0.00 +0.264 C ENDROOT BRANCH 1 5 ATOM 2 C LIG 1 2.033 0.158 -2.526 0.00 0.00 -0.033 A ATOM 3 C LIG 1 1.248 -0.141 -1.404 0.00 0.00 +0.005 A ATOM 4 C LIG 1 0.207 0.705 -1.015 0.00 0.00 +0.007 A ATOM 5 C LIG 1 -0.087 1.859 -1.751 0.00 0.00 -0.010 A ATOM 6 C LIG 1 0.700 2.162 -2.871 0.00 0.00 +0.007 A ATOM 7 C LIG 1 1.742 1.315 -3.260 0.00 0.00 +0.005 A BRANCH 2 8 ATOM 8 C LIG 1 3.144 -0.773 -2.971 0.00 0.00 +0.120 C BRANCH 8 10 ATOM 9 C LIG 1 4.809 -0.192 -1.238 0.00 0.00 +0.108 C ATOM 10 N LIG 1 3.990 -1.271 -1.872 0.00 0.00 -0.289 NA ATOM 11 C LIG 1 4.862 -2.373 -2.331 0.00 0.00 +0.113 C ATOM 12 C LIG 1 6.091 -1.914 -3.130 0.00 0.00 +0.175 C ATOM 13 O LIG 1 6.851 -0.941 -2.402 0.00 0.00 -0.377 OA ATOM 14 C LIG 1 6.037 0.196 -2.091 0.00 0.00 +0.181 C BRANCH 9 15 ATOM 15 C LIG 1 5.273 -0.599 0.187 0.00 0.00 +0.181 C BRANCH 15 16 ATOM 16 O LIG 1 4.138 -0.721 1.053 0.00 0.00 -0.376 OA BRANCH 16 17 ATOM 17 C LIG 1 4.441 -1.329 2.308 0.00 0.00 +0.188 C BRANCH 17 18 ATOM 18 C LIG 1 5.206 -0.395 3.249 0.00 0.00 +0.187 C BRANCH 18 20 ATOM 19 C LIG 1 6.385 -1.927 4.635 0.00 0.00 +0.194 C ATOM 20 O LIG 1 5.361 -0.944 4.558 0.00 0.00 -0.381 OA ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 9 15 ENDBRANCH 8 10 ENDBRANCH 2 8 ENDBRANCH 1 5 BRANCH 1 21 ATOM 21 O LIG 1 -2.298 2.140 -0.706 0.00 0.00 -0.487 OA BRANCH 21 22 ATOM 22 C LIG 1 -3.263 1.600 -1.504 0.00 0.00 +0.126 A ATOM 23 C LIG 1 -4.377 1.105 -0.849 0.00 0.00 +0.024 A ATOM 24 C LIG 1 -4.671 1.058 0.613 0.00 0.00 +0.148 C ATOM 25 N LIG 1 -6.021 0.504 0.651 0.00 0.00 -0.281 N ATOM 26 C LIG 1 -6.454 0.106 -0.605 0.00 0.00 +0.248 C ATOM 27 O LIG 1 -7.482 -0.477 -0.893 0.00 0.00 -0.270 OA ATOM 28 C LIG 1 -5.426 0.527 -1.562 0.00 0.00 +0.045 A ATOM 29 C LIG 1 -5.417 0.406 -2.937 0.00 0.00 +0.013 A ATOM 30 C LIG 1 -4.296 0.892 -3.608 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -3.229 1.482 -2.899 0.00 0.00 +0.046 A BRANCH 25 32 ATOM 32 C LIG 1 -6.661 0.034 1.873 0.00 0.00 +0.163 C ATOM 33 C LIG 1 -5.980 -1.224 2.440 0.00 0.00 +0.240 C ATOM 34 O LIG 1 -5.167 -1.912 1.829 0.00 0.00 -0.273 OA ATOM 35 N LIG 1 -6.344 -1.559 3.726 0.00 0.00 -0.255 N ATOM 36 H LIG 1 -5.884 -2.379 4.097 0.00 0.00 +0.158 HD ATOM 37 C LIG 1 -6.863 -0.709 4.669 0.00 0.00 +0.219 C ATOM 38 O LIG 1 -6.850 -1.002 5.861 0.00 0.00 -0.275 OA ATOM 39 C LIG 1 -7.470 0.577 4.160 0.00 0.00 +0.098 C ATOM 40 C LIG 1 -6.706 1.107 2.956 0.00 0.00 +0.041 C ENDBRANCH 25 32 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 11