REMARK Name = BDB032097 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.584 2.017 -1.835 0.00 0.00 +0.035 C ENDROOT BRANCH 1 4 ATOM 2 C LIG 1 3.194 -0.778 -1.623 0.00 0.00 -0.018 A ATOM 3 C LIG 1 2.560 0.473 -1.522 0.00 0.00 +0.012 A ATOM 4 C LIG 1 1.242 0.665 -1.964 0.00 0.00 -0.047 A ATOM 5 C LIG 1 0.553 -0.416 -2.524 0.00 0.00 +0.003 A ATOM 6 C LIG 1 1.163 -1.665 -2.627 0.00 0.00 +0.001 A ATOM 7 C LIG 1 2.473 -1.845 -2.178 0.00 0.00 +0.008 A BRANCH 2 11 ATOM 8 C LIG 1 7.261 -1.281 -0.290 0.00 0.00 +0.134 A ATOM 9 C LIG 1 6.230 -2.052 0.279 0.00 0.00 +0.101 A ATOM 10 C LIG 1 4.904 -1.887 -0.169 0.00 0.00 +0.027 A ATOM 11 C LIG 1 4.581 -0.957 -1.168 0.00 0.00 -0.017 A ATOM 12 C LIG 1 5.620 -0.194 -1.717 0.00 0.00 +0.012 A ATOM 13 C LIG 1 6.941 -0.352 -1.286 0.00 0.00 +0.047 A BRANCH 9 14 ATOM 14 C LIG 1 6.524 -3.057 1.344 0.00 0.00 +0.340 C ATOM 15 O LIG 1 7.595 -3.550 1.641 0.00 0.00 -0.245 OA BRANCH 14 16 ATOM 16 O LIG 1 5.414 -3.407 2.026 0.00 0.00 -0.477 OA ATOM 17 H LIG 1 5.756 -4.032 2.700 0.00 0.00 +0.295 HD ENDBRANCH 14 16 ENDBRANCH 9 14 BRANCH 8 18 ATOM 18 O LIG 1 8.528 -1.455 0.197 0.00 0.00 -0.491 OA BRANCH 18 19 ATOM 19 C LIG 1 9.617 -0.913 -0.547 0.00 0.00 +0.229 C BRANCH 19 21 ATOM 20 C LIG 1 11.133 -0.954 1.483 0.00 0.00 +0.007 C ATOM 21 C LIG 1 10.925 -1.425 0.051 0.00 0.00 +0.038 C ENDBRANCH 19 21 ENDBRANCH 18 19 ENDBRANCH 8 18 ENDBRANCH 2 11 ENDBRANCH 1 4 BRANCH 1 22 ATOM 22 C LIG 1 -0.595 1.999 -0.859 0.00 0.00 +0.012 C BRANCH 22 23 ATOM 23 C LIG 1 -1.126 3.409 -0.607 0.00 0.00 +0.077 C BRANCH 23 24 ATOM 24 C LIG 1 -2.391 3.353 0.199 0.00 0.00 +0.134 A ATOM 25 N LIG 1 -2.401 3.243 1.541 0.00 0.00 -0.280 N ATOM 26 C LIG 1 -3.727 3.194 1.902 0.00 0.00 +0.347 A ATOM 27 O LIG 1 -4.182 3.098 3.031 0.00 0.00 -0.245 OA ATOM 28 N LIG 1 -4.435 3.284 0.705 0.00 0.00 -0.209 N ATOM 29 N LIG 1 -3.568 3.368 -0.359 0.00 0.00 -0.153 NA BRANCH 25 30 ATOM 30 C LIG 1 -1.308 3.254 2.494 0.00 0.00 +0.125 C ATOM 31 C LIG 1 -0.997 4.666 2.966 0.00 0.00 +0.027 C ENDBRANCH 25 30 BRANCH 28 32 ATOM 32 C LIG 1 -5.860 3.126 0.555 0.00 0.00 +0.184 C BRANCH 32 33 ATOM 33 C LIG 1 -6.249 1.680 0.370 0.00 0.00 -0.026 A ATOM 34 C LIG 1 -6.562 0.879 1.472 0.00 0.00 +0.006 A ATOM 35 C LIG 1 -6.889 -0.469 1.299 0.00 0.00 +0.004 A ATOM 36 C LIG 1 -6.905 -1.068 0.025 0.00 0.00 -0.042 A ATOM 37 C LIG 1 -6.577 -0.253 -1.070 0.00 0.00 +0.004 A ATOM 38 C LIG 1 -6.251 1.098 -0.901 0.00 0.00 +0.006 A BRANCH 36 39 ATOM 39 C LIG 1 -7.261 -2.558 -0.123 0.00 0.00 -0.013 C ATOM 40 C LIG 1 -6.237 -3.413 0.656 0.00 0.00 +0.015 C ATOM 41 C LIG 1 -7.258 -3.058 -1.585 0.00 0.00 +0.015 C ATOM 42 C LIG 1 -8.674 -2.816 0.444 0.00 0.00 +0.015 C ENDBRANCH 36 39 ENDBRANCH 32 33 ENDBRANCH 28 32 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 14