REMARK Name = BDB019799 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.488 0.542 -3.381 0.00 0.00 +0.167 A ATOM 2 C LIG 1 -2.808 0.326 -2.994 0.00 0.00 +0.186 A ATOM 3 C LIG 1 -3.780 0.672 -3.916 0.00 0.00 +0.162 A ATOM 4 N LIG 1 -3.510 1.141 -5.149 0.00 0.00 -0.240 NA ATOM 5 C LIG 1 -2.212 1.296 -5.429 0.00 0.00 +0.223 A ATOM 6 N LIG 1 -1.187 1.025 -4.608 0.00 0.00 -0.217 NA ENDROOT BRANCH 1 13 ATOM 7 C LIG 1 4.333 -1.203 1.397 0.00 0.00 +0.233 C ATOM 8 N LIG 1 3.463 -0.901 0.355 0.00 0.00 -0.300 N ATOM 9 C LIG 1 3.114 0.450 -0.098 0.00 0.00 +0.108 C ATOM 10 C LIG 1 1.627 0.546 -0.419 0.00 0.00 +0.029 C ATOM 11 C LIG 1 1.250 -0.443 -1.540 0.00 0.00 +0.005 C ATOM 12 C LIG 1 -0.267 -0.776 -1.568 0.00 0.00 +0.115 C ATOM 13 N LIG 1 -0.407 0.297 -2.507 0.00 0.00 -0.311 N ATOM 14 C LIG 1 0.966 0.208 -2.917 0.00 0.00 +0.115 C ATOM 15 C LIG 1 2.192 -1.649 -1.632 0.00 0.00 +0.029 C ATOM 16 C LIG 1 2.725 -2.010 -0.253 0.00 0.00 +0.108 C ATOM 17 O LIG 1 4.464 -2.364 1.805 0.00 0.00 -0.274 OA BRANCH 7 21 ATOM 18 C LIG 1 7.149 2.809 1.204 0.00 0.00 +0.008 C ATOM 19 C LIG 1 6.987 1.595 1.747 0.00 0.00 -0.070 C ATOM 20 C LIG 1 6.280 0.432 1.067 0.00 0.00 +0.040 C ATOM 21 C LIG 1 5.170 -0.064 2.033 0.00 0.00 +0.148 C ATOM 22 N LIG 1 5.753 -0.541 3.336 0.00 0.00 -0.302 NA ATOM 23 H LIG 1 5.584 -1.554 3.380 0.00 0.00 +0.123 HD ATOM 24 C LIG 1 7.212 -0.293 3.362 0.00 0.00 +0.058 C ATOM 25 C LIG 1 7.871 -1.123 2.243 0.00 0.00 +0.019 C ATOM 26 C LIG 1 7.332 -0.679 0.874 0.00 0.00 +0.011 C ATOM 27 C LIG 1 7.492 1.215 3.126 0.00 0.00 +0.049 C ENDBRANCH 7 21 ENDBRANCH 1 13 BRANCH 2 28 ATOM 28 O LIG 1 -3.106 -0.118 -1.732 0.00 0.00 -0.450 OA BRANCH 28 29 ATOM 29 C LIG 1 -4.064 -1.103 -1.632 0.00 0.00 +0.141 A ATOM 30 C LIG 1 -5.219 -0.862 -0.877 0.00 0.00 +0.082 A ATOM 31 C LIG 1 -6.222 -1.830 -0.793 0.00 0.00 +0.055 A ATOM 32 C LIG 1 -6.013 -3.068 -1.387 0.00 0.00 +0.124 A ATOM 33 F LIG 1 -6.957 -4.012 -1.291 0.00 0.00 -0.205 F ATOM 34 C LIG 1 -4.840 -3.344 -2.086 0.00 0.00 +0.042 A ATOM 35 C LIG 1 -3.859 -2.359 -2.213 0.00 0.00 +0.050 A BRANCH 30 36 ATOM 36 C LIG 1 -5.488 0.484 -0.366 0.00 0.00 +0.251 C ATOM 37 N LIG 1 -5.101 0.868 0.925 0.00 0.00 -0.292 N ATOM 38 O LIG 1 -6.063 1.218 -1.170 0.00 0.00 -0.270 OA BRANCH 37 39 ATOM 39 C LIG 1 -4.438 0.015 1.946 0.00 0.00 +0.070 C ATOM 40 C LIG 1 -5.249 -1.213 2.357 0.00 0.00 +0.028 C ATOM 41 C LIG 1 -2.995 -0.341 1.597 0.00 0.00 +0.028 C ENDBRANCH 37 39 BRANCH 37 42 ATOM 42 C LIG 1 -5.303 2.290 1.300 0.00 0.00 +0.070 C ATOM 43 C LIG 1 -6.783 2.675 1.368 0.00 0.00 +0.028 C ATOM 44 C LIG 1 -4.500 3.252 0.418 0.00 0.00 +0.028 C ENDBRANCH 37 42 ENDBRANCH 30 36 ENDBRANCH 28 29 ENDBRANCH 2 28 TORSDOF 7