REMARK Name = BDB020762 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.496 0.793 0.340 0.00 0.00 +0.043 A ATOM 2 C LIG 1 -0.011 -0.576 0.147 0.00 0.00 -0.017 A ATOM 3 C LIG 1 0.984 -1.670 0.451 0.00 0.00 +0.046 C ATOM 4 C LIG 1 -1.304 -0.739 -0.260 0.00 0.00 +0.044 A ATOM 5 N LIG 1 -2.088 0.435 -0.483 0.00 0.00 -0.318 N ATOM 6 C LIG 1 -1.598 1.736 -0.325 0.00 0.00 +0.055 A ATOM 7 C LIG 1 -2.595 2.639 -0.654 0.00 0.00 +0.007 A ATOM 8 C LIG 1 -3.746 1.886 -0.980 0.00 0.00 +0.028 A ATOM 9 C LIG 1 -3.411 0.557 -0.871 0.00 0.00 +0.092 A ATOM 10 C LIG 1 -0.257 1.884 0.123 0.00 0.00 +0.040 A ENDROOT BRANCH 7 11 ATOM 11 C LIG 1 -2.448 4.082 -0.618 0.00 0.00 -0.013 A ATOM 12 C LIG 1 -1.517 4.723 -1.437 0.00 0.00 +0.032 A ATOM 13 C LIG 1 -1.414 6.110 -1.384 0.00 0.00 +0.044 A ATOM 14 N LIG 1 -2.189 6.861 -0.563 0.00 0.00 -0.260 NA ATOM 15 C LIG 1 -3.086 6.216 0.215 0.00 0.00 +0.111 A ATOM 16 C LIG 1 -3.256 4.845 0.221 0.00 0.00 +0.028 A BRANCH 13 17 ATOM 17 C LIG 1 -0.410 6.835 -2.259 0.00 0.00 +0.032 C ATOM 18 C LIG 1 0.632 7.556 -1.403 0.00 0.00 +0.014 C ATOM 19 C LIG 1 -1.115 7.814 -3.199 0.00 0.00 +0.014 C ENDBRANCH 13 17 ENDBRANCH 7 11 BRANCH 1 22 ATOM 20 N LIG 1 2.793 1.012 -0.252 0.00 0.00 -0.307 N ATOM 21 H LIG 1 2.479 0.744 -1.178 0.00 0.00 +0.149 HD ATOM 22 C LIG 1 1.891 1.077 0.778 0.00 0.00 +0.245 C ATOM 23 O LIG 1 2.161 1.335 1.943 0.00 0.00 -0.270 OA BRANCH 20 24 ATOM 24 C LIG 1 4.221 1.090 -0.042 0.00 0.00 +0.149 C BRANCH 24 26 ATOM 25 C LIG 1 5.462 -0.914 0.868 0.00 0.00 +0.132 A ATOM 26 C LIG 1 4.816 -0.280 -0.128 0.00 0.00 +0.075 A ATOM 27 C LIG 1 4.720 -0.976 -1.445 0.00 0.00 +0.257 A ATOM 28 O LIG 1 4.161 -0.463 -2.411 0.00 0.00 -0.267 OA ATOM 29 N LIG 1 5.274 -2.231 -1.522 0.00 0.00 -0.326 N ATOM 30 H LIG 1 5.188 -2.689 -2.422 0.00 0.00 +0.169 HD ATOM 31 C LIG 1 5.875 -2.885 -0.473 0.00 0.00 +0.019 A ATOM 32 C LIG 1 6.376 -4.272 -0.725 0.00 0.00 +0.063 C ATOM 33 C LIG 1 5.968 -2.260 0.711 0.00 0.00 +0.067 A BRANCH 25 35 ATOM 34 C LIG 1 6.888 0.178 2.337 0.00 0.00 +0.277 C ATOM 35 O LIG 1 5.590 -0.379 2.131 0.00 0.00 -0.495 OA ENDBRANCH 25 35 ENDBRANCH 24 26 ENDBRANCH 20 24 ENDBRANCH 1 22 BRANCH 4 36 ATOM 36 C LIG 1 -1.940 -2.120 -0.506 0.00 0.00 +0.101 C ATOM 37 C LIG 1 -2.100 -2.318 -2.028 0.00 0.00 +0.031 C BRANCH 36 38 ATOM 38 N LIG 1 -3.184 -2.351 0.275 0.00 0.00 -0.292 NA ATOM 39 C LIG 1 -3.861 -3.630 -0.027 0.00 0.00 +0.100 C ATOM 40 C LIG 1 -3.145 -4.878 0.542 0.00 0.00 +0.100 C ATOM 41 N LIG 1 -2.897 -4.830 1.997 0.00 0.00 -0.292 NA ATOM 42 C LIG 1 -2.261 -3.538 2.343 0.00 0.00 +0.100 C ATOM 43 C LIG 1 -2.949 -2.287 1.739 0.00 0.00 +0.100 C BRANCH 41 44 ATOM 44 C LIG 1 -4.128 -5.048 2.809 0.00 0.00 +0.198 C BRANCH 44 45 ATOM 45 C LIG 1 -4.924 -6.357 2.620 0.00 0.00 +0.402 C ATOM 46 F LIG 1 -4.133 -7.450 2.669 0.00 0.00 -0.169 F ATOM 47 F LIG 1 -5.853 -6.484 3.598 0.00 0.00 -0.169 F ATOM 48 F LIG 1 -5.586 -6.370 1.441 0.00 0.00 -0.169 F ENDBRANCH 44 45 ENDBRANCH 41 44 ENDBRANCH 36 38 ENDBRANCH 4 36 TORSDOF 10