REMARK Name = BDB050365 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.361 1.293 -1.782 0.00 0.00 +0.100 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.754 0.398 -1.386 0.00 0.00 +0.086 A ATOM 3 C LIG 1 0.774 -0.972 -1.232 0.00 0.00 +0.126 A ATOM 4 C LIG 1 -0.206 -2.061 -1.385 0.00 0.00 +0.088 C ATOM 5 O LIG 1 2.036 -1.331 -0.850 0.00 0.00 -0.440 OA ATOM 6 C LIG 1 2.726 -0.147 -0.789 0.00 0.00 +0.228 A ATOM 7 N LIG 1 1.998 0.911 -1.096 0.00 0.00 -0.214 NA BRANCH 6 8 ATOM 8 C LIG 1 4.131 -0.220 -0.401 0.00 0.00 +0.037 A ATOM 9 C LIG 1 4.894 0.954 -0.337 0.00 0.00 +0.014 A ATOM 10 C LIG 1 6.245 0.915 0.031 0.00 0.00 +0.009 A ATOM 11 C LIG 1 6.875 -0.299 0.345 0.00 0.00 -0.018 A ATOM 12 C LIG 1 6.107 -1.472 0.279 0.00 0.00 +0.009 A ATOM 13 C LIG 1 4.755 -1.434 -0.088 0.00 0.00 +0.014 A BRANCH 11 14 ATOM 14 C LIG 1 8.295 -0.341 0.729 0.00 0.00 -0.018 A ATOM 15 C LIG 1 9.201 -1.183 0.063 0.00 0.00 +0.008 A ATOM 16 C LIG 1 10.550 -1.224 0.427 0.00 0.00 +0.001 A ATOM 17 C LIG 1 11.016 -0.422 1.466 0.00 0.00 +0.000 A ATOM 18 C LIG 1 10.135 0.419 2.140 0.00 0.00 +0.001 A ATOM 19 C LIG 1 8.787 0.459 1.774 0.00 0.00 +0.008 A ENDBRANCH 11 14 ENDBRANCH 6 8 ENDBRANCH 1 2 BRANCH 1 20 ATOM 20 C LIG 1 -0.873 2.124 -0.606 0.00 0.00 +0.235 C BRANCH 20 21 ATOM 21 O LIG 1 -2.045 2.858 -0.970 0.00 0.00 -0.491 OA BRANCH 21 30 ATOM 22 C LIG 1 -7.324 -0.334 0.490 0.00 0.00 +0.211 C ATOM 23 C LIG 1 -6.263 -1.378 0.284 0.00 0.00 +0.327 C ATOM 24 O LIG 1 -6.437 -2.582 0.440 0.00 0.00 -0.249 OA ATOM 25 O LIG 1 -4.995 -0.876 -0.011 0.00 0.00 -0.425 OA ATOM 26 C LIG 1 -4.810 0.471 -0.379 0.00 0.00 +0.138 A ATOM 27 C LIG 1 -5.900 1.277 -0.700 0.00 0.00 -0.003 A ATOM 28 C LIG 1 -5.663 2.586 -1.117 0.00 0.00 +0.011 A ATOM 29 C LIG 1 -4.352 3.067 -1.183 0.00 0.00 +0.046 A ATOM 30 C LIG 1 -3.264 2.252 -0.846 0.00 0.00 +0.124 A ATOM 31 C LIG 1 -3.498 0.939 -0.445 0.00 0.00 +0.092 A ATOM 32 C LIG 1 -7.276 0.696 -0.632 0.00 0.00 +0.065 C BRANCH 22 33 ATOM 33 C LIG 1 -8.695 -0.946 0.558 0.00 0.00 +0.321 C ATOM 34 O LIG 1 -9.465 -1.042 -0.389 0.00 0.00 -0.250 OA BRANCH 33 36 ATOM 35 C LIG 1 -10.237 -1.996 1.976 0.00 0.00 +0.280 C ATOM 36 O LIG 1 -8.968 -1.356 1.829 0.00 0.00 -0.467 OA ENDBRANCH 33 36 ENDBRANCH 22 33 ENDBRANCH 21 30 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 8