REMARK Name = BDB047854 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.457 0.503 1.657 0.00 0.00 -0.044 A ATOM 2 C LIG 1 3.689 -0.332 2.484 0.00 0.00 +0.013 A ATOM 3 C LIG 1 2.293 -0.148 2.571 0.00 0.00 +0.000 A ATOM 4 C LIG 1 1.266 -0.806 3.300 0.00 0.00 +0.027 A ATOM 5 C LIG 1 0.077 -0.189 2.994 0.00 0.00 +0.087 A ATOM 6 N LIG 1 0.337 0.816 2.093 0.00 0.00 -0.341 N ATOM 7 C LIG 1 1.693 0.872 1.827 0.00 0.00 +0.049 A ATOM 8 C LIG 1 2.447 1.722 1.002 0.00 0.00 +0.026 A ATOM 9 C LIG 1 3.829 1.518 0.930 0.00 0.00 +0.006 A ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 5.953 0.294 1.538 0.00 0.00 +0.078 C BRANCH 10 11 ATOM 11 C LIG 1 6.335 -0.343 0.189 0.00 0.00 +0.230 C BRANCH 11 12 ATOM 12 C LIG 1 7.582 -1.216 0.416 0.00 0.00 +0.334 C ATOM 13 O LIG 1 8.718 -0.930 0.069 0.00 0.00 -0.248 OA BRANCH 12 14 ATOM 14 O LIG 1 7.304 -2.389 1.043 0.00 0.00 -0.479 OA ATOM 15 H LIG 1 6.360 -2.529 1.250 0.00 0.00 +0.295 HD ENDBRANCH 12 14 ENDBRANCH 11 12 BRANCH 11 16 ATOM 16 O LIG 1 6.506 0.716 -0.756 0.00 0.00 -0.365 OA BRANCH 16 18 ATOM 17 C LIG 1 6.768 1.463 -3.004 0.00 0.00 +0.034 C ATOM 18 C LIG 1 6.632 0.254 -2.100 0.00 0.00 +0.157 C ENDBRANCH 16 18 ENDBRANCH 11 16 ENDBRANCH 10 11 ENDBRANCH 1 10 BRANCH 6 19 ATOM 19 C LIG 1 -0.685 1.705 1.550 0.00 0.00 +0.180 C BRANCH 19 20 ATOM 20 C LIG 1 -1.548 1.004 0.563 0.00 0.00 +0.102 A ATOM 21 C LIG 1 -1.222 0.405 -0.637 0.00 0.00 +0.127 A ATOM 22 C LIG 1 0.024 0.199 -1.396 0.00 0.00 +0.088 C ATOM 23 O LIG 1 -2.369 -0.094 -1.184 0.00 0.00 -0.440 OA ATOM 24 C LIG 1 -3.350 0.230 -0.284 0.00 0.00 +0.228 A ATOM 25 N LIG 1 -2.910 0.892 0.770 0.00 0.00 -0.212 NA BRANCH 24 26 ATOM 26 C LIG 1 -4.711 -0.187 -0.608 0.00 0.00 +0.044 A ATOM 27 C LIG 1 -5.755 0.115 0.282 0.00 0.00 +0.059 A ATOM 28 C LIG 1 -7.066 -0.271 -0.001 0.00 0.00 +0.124 A ATOM 29 C LIG 1 -7.342 -0.965 -1.183 0.00 0.00 +0.091 A ATOM 30 C LIG 1 -6.320 -1.274 -2.080 0.00 0.00 +0.124 A ATOM 31 C LIG 1 -5.011 -0.884 -1.786 0.00 0.00 +0.059 A BRANCH 28 32 ATOM 32 O LIG 1 -8.160 -0.033 0.787 0.00 0.00 -0.495 OA ATOM 33 C LIG 1 -7.937 0.665 2.007 0.00 0.00 +0.277 C ENDBRANCH 28 32 BRANCH 30 34 ATOM 34 O LIG 1 -6.464 -1.946 -3.263 0.00 0.00 -0.495 OA ATOM 35 C LIG 1 -7.778 -2.368 -3.607 0.00 0.00 +0.277 C ENDBRANCH 30 34 ENDBRANCH 24 26 ENDBRANCH 19 20 ENDBRANCH 6 19 TORSDOF 11