REMARK Name = BDB035286 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.945 -0.517 1.021 0.00 0.00 +0.141 A ATOM 2 N LIG 1 -2.100 0.360 2.032 0.00 0.00 -0.234 NA ATOM 3 C LIG 1 -3.327 0.743 2.463 0.00 0.00 +0.047 A ATOM 4 C LIG 1 -4.467 0.212 1.868 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -4.354 -0.689 0.808 0.00 0.00 -0.012 A ATOM 6 C LIG 1 -3.067 -1.053 0.391 0.00 0.00 +0.055 A ENDROOT BRANCH 1 14 ATOM 7 C LIG 1 3.954 -0.621 0.071 0.00 0.00 +0.031 A ATOM 8 N LIG 1 2.957 0.140 0.641 0.00 0.00 -0.353 N ATOM 9 H LIG 1 3.068 1.044 1.085 0.00 0.00 +0.166 HD ATOM 10 C LIG 1 1.755 -0.500 0.499 0.00 0.00 +0.113 A ATOM 11 C LIG 1 1.984 -1.683 -0.158 0.00 0.00 +0.010 A ATOM 12 C LIG 1 0.873 -2.537 -0.427 0.00 0.00 -0.018 A ATOM 13 C LIG 1 -0.356 -2.117 -0.048 0.00 0.00 +0.100 A ATOM 14 N LIG 1 -0.614 -0.900 0.620 0.00 0.00 -0.266 N ATOM 15 C LIG 1 0.464 -0.015 0.938 0.00 0.00 +0.281 A ATOM 16 O LIG 1 0.390 1.085 1.478 0.00 0.00 -0.265 OA ATOM 17 C LIG 1 3.364 -1.770 -0.435 0.00 0.00 +0.033 A BRANCH 12 18 ATOM 18 C LIG 1 1.142 -3.808 -1.127 0.00 0.00 +0.021 C ATOM 19 C LIG 1 1.930 -4.890 -0.427 0.00 0.00 +0.009 C ATOM 20 C LIG 1 0.467 -5.085 -0.683 0.00 0.00 +0.009 C ENDBRANCH 12 18 BRANCH 7 21 ATOM 21 C LIG 1 5.382 -0.176 0.069 0.00 0.00 +0.137 C BRANCH 21 25 ATOM 22 C LIG 1 9.434 1.468 -0.918 0.00 0.00 +0.009 C ATOM 23 C LIG 1 7.912 1.427 -0.790 0.00 0.00 +0.000 C ATOM 24 C LIG 1 7.358 0.094 -1.325 0.00 0.00 +0.088 C ATOM 25 N LIG 1 5.891 -0.000 -1.296 0.00 0.00 -0.296 NA ATOM 26 C LIG 1 5.286 1.133 -2.012 0.00 0.00 +0.085 C ATOM 27 C LIG 1 5.754 2.505 -1.520 0.00 0.00 +0.016 C ATOM 28 C LIG 1 7.276 2.608 -1.532 0.00 0.00 +0.006 C ENDBRANCH 21 25 ENDBRANCH 7 21 ENDBRANCH 1 14 BRANCH 5 29 ATOM 29 C LIG 1 -5.549 -1.243 0.144 0.00 0.00 -0.005 A ATOM 30 C LIG 1 -6.544 -0.451 -0.478 0.00 0.00 +0.047 A ATOM 31 C LIG 1 -7.692 -1.045 -1.026 0.00 0.00 +0.052 A ATOM 32 C LIG 1 -7.843 -2.423 -0.985 0.00 0.00 +0.124 A ATOM 33 F LIG 1 -8.934 -2.985 -1.519 0.00 0.00 -0.205 F ATOM 34 C LIG 1 -6.877 -3.227 -0.401 0.00 0.00 +0.039 A ATOM 35 C LIG 1 -5.741 -2.641 0.164 0.00 0.00 +0.012 A BRANCH 30 36 ATOM 36 C LIG 1 -6.475 1.030 -0.591 0.00 0.00 +0.245 C ATOM 37 N LIG 1 -5.282 1.562 -1.014 0.00 0.00 -0.303 N ATOM 38 H LIG 1 -4.538 0.947 -1.325 0.00 0.00 +0.149 HD ATOM 39 O LIG 1 -7.471 1.704 -0.355 0.00 0.00 -0.270 OA BRANCH 37 40 ATOM 40 C LIG 1 -5.124 2.997 -1.261 0.00 0.00 +0.217 C BRANCH 40 41 ATOM 41 C LIG 1 -3.736 3.546 -0.942 0.00 0.00 +0.405 C ATOM 42 F LIG 1 -3.613 4.823 -1.368 0.00 0.00 -0.169 F ATOM 43 F LIG 1 -3.485 3.526 0.383 0.00 0.00 -0.169 F ATOM 44 F LIG 1 -2.782 2.813 -1.564 0.00 0.00 -0.169 F ENDBRANCH 40 41 ENDBRANCH 37 40 ENDBRANCH 30 36 ENDBRANCH 5 29 BRANCH 3 45 ATOM 45 C LIG 1 -3.364 1.754 3.591 0.00 0.00 +0.038 C ATOM 46 C LIG 1 -4.413 2.840 3.647 0.00 0.00 +0.010 C ATOM 47 C LIG 1 -4.431 1.729 4.659 0.00 0.00 +0.010 C ENDBRANCH 3 45 TORSDOF 9