REMARK Name = BDB035275 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.112 -1.261 0.043 0.00 0.00 +0.031 A ATOM 2 N LIG 1 3.046 -0.738 0.744 0.00 0.00 -0.353 N ATOM 3 H LIG 1 3.067 -0.478 1.723 0.00 0.00 +0.166 HD ATOM 4 C LIG 1 1.964 -0.625 -0.088 0.00 0.00 +0.113 A ATOM 5 C LIG 1 2.349 -1.058 -1.336 0.00 0.00 +0.010 A ATOM 6 C LIG 1 1.387 -1.043 -2.391 0.00 0.00 -0.018 A ATOM 7 C LIG 1 0.140 -0.606 -2.103 0.00 0.00 +0.100 A ATOM 8 N LIG 1 -0.284 -0.188 -0.822 0.00 0.00 -0.266 N ATOM 9 C LIG 1 0.645 -0.136 0.256 0.00 0.00 +0.281 A ATOM 10 O LIG 1 0.425 0.304 1.382 0.00 0.00 -0.265 OA ATOM 11 C LIG 1 3.702 -1.449 -1.268 0.00 0.00 +0.033 A ENDROOT BRANCH 8 12 ATOM 12 C LIG 1 -1.656 0.230 -0.651 0.00 0.00 +0.141 A ATOM 13 N LIG 1 -2.362 0.497 -1.782 0.00 0.00 -0.234 NA ATOM 14 C LIG 1 -3.653 0.909 -1.720 0.00 0.00 +0.047 A ATOM 15 C LIG 1 -4.280 1.053 -0.486 0.00 0.00 +0.032 A ATOM 16 C LIG 1 -3.601 0.749 0.696 0.00 0.00 -0.012 A ATOM 17 C LIG 1 -2.268 0.332 0.594 0.00 0.00 +0.055 A BRANCH 16 18 ATOM 18 C LIG 1 -4.257 0.878 2.011 0.00 0.00 -0.005 A ATOM 19 C LIG 1 -5.425 0.168 2.370 0.00 0.00 +0.047 A ATOM 20 C LIG 1 -6.013 0.314 3.635 0.00 0.00 +0.052 A ATOM 21 C LIG 1 -5.448 1.193 4.546 0.00 0.00 +0.124 A ATOM 22 F LIG 1 -6.013 1.351 5.750 0.00 0.00 -0.205 F ATOM 23 C LIG 1 -4.304 1.913 4.228 0.00 0.00 +0.039 A ATOM 24 C LIG 1 -3.712 1.755 2.972 0.00 0.00 +0.012 A BRANCH 19 25 ATOM 25 C LIG 1 -6.038 -0.820 1.459 0.00 0.00 +0.247 C ATOM 26 N LIG 1 -7.233 -0.484 0.824 0.00 0.00 -0.304 N ATOM 27 C LIG 1 -7.941 0.779 0.981 0.00 0.00 +0.132 C ATOM 28 C LIG 1 -7.912 -1.506 0.042 0.00 0.00 +0.132 C ATOM 29 O LIG 1 -5.469 -1.901 1.338 0.00 0.00 -0.270 OA ENDBRANCH 19 25 ENDBRANCH 16 18 BRANCH 14 30 ATOM 30 C LIG 1 -4.338 1.198 -3.043 0.00 0.00 +0.038 C ATOM 31 C LIG 1 -5.218 2.414 -3.219 0.00 0.00 +0.010 C ATOM 32 C LIG 1 -5.829 1.040 -3.239 0.00 0.00 +0.010 C ENDBRANCH 14 30 ENDBRANCH 8 12 BRANCH 6 33 ATOM 33 C LIG 1 1.828 -1.468 -3.735 0.00 0.00 +0.021 C ATOM 34 C LIG 1 2.251 -2.898 -3.973 0.00 0.00 +0.009 C ATOM 35 C LIG 1 0.964 -2.399 -4.554 0.00 0.00 +0.009 C ENDBRANCH 6 33 BRANCH 1 36 ATOM 36 C LIG 1 5.415 -1.563 0.706 0.00 0.00 +0.137 C BRANCH 36 40 ATOM 37 C LIG 1 8.051 2.030 -0.350 0.00 0.00 +0.009 C ATOM 38 C LIG 1 7.711 0.714 0.353 0.00 0.00 +0.000 C ATOM 39 C LIG 1 6.262 0.735 0.869 0.00 0.00 +0.088 C ATOM 40 N LIG 1 5.862 -0.482 1.596 0.00 0.00 -0.296 NA ATOM 41 C LIG 1 6.912 -0.983 2.502 0.00 0.00 +0.085 C ATOM 42 C LIG 1 8.031 0.022 2.784 0.00 0.00 +0.016 C ATOM 43 C LIG 1 8.720 0.426 1.481 0.00 0.00 +0.006 C ENDBRANCH 36 40 ENDBRANCH 1 36 TORSDOF 7