REMARK Name = BDB058414 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.161 -1.745 0.648 0.00 0.00 -0.076 C ATOM 2 C LIG 1 -1.348 -1.118 0.770 0.00 0.00 -0.028 C ATOM 3 C LIG 1 0.008 -3.211 0.352 0.00 0.00 +0.039 C ENDROOT BRANCH 1 4 ATOM 4 C LIG 1 1.131 -0.970 0.834 0.00 0.00 +0.034 C BRANCH 4 5 ATOM 5 C LIG 1 1.809 -0.629 -0.498 0.00 0.00 +0.032 C BRANCH 5 7 ATOM 6 C LIG 1 4.338 -0.259 -0.386 0.00 0.00 +0.030 C ATOM 7 C LIG 1 3.064 0.174 -0.286 0.00 0.00 -0.016 C ATOM 8 C LIG 1 4.762 -1.668 -0.679 0.00 0.00 +0.051 C BRANCH 6 9 ATOM 9 C LIG 1 5.410 0.754 -0.147 0.00 0.00 +0.336 C ATOM 10 O LIG 1 5.227 1.876 0.301 0.00 0.00 -0.245 OA BRANCH 9 11 ATOM 11 O LIG 1 6.614 0.259 -0.515 0.00 0.00 -0.435 OA BRANCH 11 12 ATOM 12 C LIG 1 7.716 1.148 -0.272 0.00 0.00 +0.391 C BRANCH 12 13 ATOM 13 C LIG 1 8.928 0.596 -0.999 0.00 0.00 +0.360 C ATOM 14 O LIG 1 8.924 -0.379 -1.742 0.00 0.00 -0.246 OA BRANCH 13 16 ATOM 15 C LIG 1 11.213 0.921 -1.434 0.00 0.00 +0.280 C ATOM 16 O LIG 1 10.032 1.366 -0.764 0.00 0.00 -0.465 OA ENDBRANCH 13 16 ENDBRANCH 12 13 BRANCH 12 17 ATOM 17 C LIG 1 7.993 1.270 1.218 0.00 0.00 +0.360 C ATOM 18 O LIG 1 7.753 0.399 2.046 0.00 0.00 -0.246 OA BRANCH 17 19 ATOM 19 O LIG 1 8.550 2.482 1.508 0.00 0.00 -0.465 OA ATOM 20 C LIG 1 8.813 2.685 2.897 0.00 0.00 +0.280 C ENDBRANCH 17 19 ENDBRANCH 12 17 ENDBRANCH 11 12 ENDBRANCH 9 11 ENDBRANCH 6 9 ENDBRANCH 5 7 ENDBRANCH 4 5 ENDBRANCH 1 4 BRANCH 2 21 ATOM 21 C LIG 1 -2.725 -1.719 0.669 0.00 0.00 +0.031 C BRANCH 21 22 ATOM 22 C LIG 1 -3.340 -1.450 -0.711 0.00 0.00 +0.052 C BRANCH 22 23 ATOM 23 C LIG 1 -4.803 -1.943 -0.870 0.00 0.00 +0.108 C ATOM 24 O LIG 1 -5.627 -1.379 0.166 0.00 0.00 -0.485 OA ATOM 25 C LIG 1 -6.099 -0.107 -0.025 0.00 0.00 +0.128 A ATOM 26 C LIG 1 -6.073 0.542 -1.263 0.00 0.00 -0.002 A ATOM 27 C LIG 1 -6.567 1.850 -1.360 0.00 0.00 +0.052 A ATOM 28 C LIG 1 -7.103 2.503 -0.248 0.00 0.00 +0.121 A ATOM 29 C LIG 1 -7.144 1.840 0.978 0.00 0.00 +0.052 A ATOM 30 C LIG 1 -5.500 -0.121 -2.479 0.00 0.00 +0.043 C ATOM 31 C LIG 1 -6.647 0.531 1.099 0.00 0.00 -0.005 A ATOM 32 C LIG 1 -6.690 -0.168 2.430 0.00 0.00 +0.047 C ATOM 33 C LIG 1 -5.373 -1.621 -2.263 0.00 0.00 +0.052 C ATOM 34 C LIG 1 -4.877 -3.468 -0.674 0.00 0.00 +0.055 C BRANCH 28 35 ATOM 35 O LIG 1 -7.549 3.773 -0.493 0.00 0.00 -0.495 OA ATOM 36 C LIG 1 -8.101 4.484 0.607 0.00 0.00 +0.277 C ENDBRANCH 28 35 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 2 21 TORSDOF 14