REMARK Name = BDB026064 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.220 1.019 1.061 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.729 -0.139 0.406 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.612 -0.230 0.016 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.514 0.819 0.266 0.00 0.00 +0.019 A ATOM 5 C LIG 1 1.015 1.951 0.925 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.822 2.993 1.183 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.321 2.056 1.318 0.00 0.00 +0.064 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -3.446 4.046 0.290 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.295 2.782 0.474 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -4.970 2.880 1.793 0.00 0.00 -0.300 NA ATOM 11 C LIG 1 -6.425 2.833 1.673 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.492 1.868 2.754 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -2.964 1.677 2.682 0.00 0.00 +0.120 C ATOM 14 N LIG 1 -2.591 1.095 1.379 0.00 0.00 -0.326 N ATOM 15 C LIG 1 -3.447 1.498 0.230 0.00 0.00 +0.123 C ENDBRANCH 1 14 BRANCH 4 16 ATOM 16 C LIG 1 2.926 0.717 -0.149 0.00 0.00 -0.012 A ATOM 17 C LIG 1 3.278 0.282 -1.433 0.00 0.00 +0.048 A ATOM 18 C LIG 1 4.618 0.181 -1.823 0.00 0.00 +0.145 A ATOM 19 F LIG 1 4.851 -0.232 -3.079 0.00 0.00 -0.204 F ATOM 20 C LIG 1 5.678 0.515 -0.962 0.00 0.00 +0.066 A ATOM 21 C LIG 1 5.314 0.934 0.329 0.00 0.00 +0.026 A ATOM 22 C LIG 1 3.973 1.037 0.727 0.00 0.00 +0.010 A BRANCH 20 23 ATOM 23 N LIG 1 7.047 0.424 -1.282 0.00 0.00 -0.323 N ATOM 24 C LIG 1 7.421 -0.326 -2.503 0.00 0.00 +0.133 C ATOM 25 C LIG 1 8.948 -0.495 -2.558 0.00 0.00 +0.178 C ATOM 26 O LIG 1 9.617 0.777 -2.532 0.00 0.00 -0.377 OA ATOM 27 C LIG 1 9.282 1.484 -1.327 0.00 0.00 +0.178 C ATOM 28 C LIG 1 7.767 1.720 -1.204 0.00 0.00 +0.133 C ENDBRANCH 20 23 ENDBRANCH 4 16 BRANCH 2 29 ATOM 29 N LIG 1 -1.662 -1.182 0.227 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -2.560 -0.974 0.657 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -1.517 -2.341 -0.491 0.00 0.00 +0.250 C ATOM 32 O LIG 1 -0.568 -2.685 -1.183 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -2.733 -3.203 -0.435 0.00 0.00 +0.062 A ATOM 34 C LIG 1 -3.515 -3.495 -1.625 0.00 0.00 +0.036 A ATOM 35 C LIG 1 -4.586 -4.303 -1.522 0.00 0.00 +0.080 A ATOM 36 C LIG 1 -4.981 -4.900 -0.218 0.00 0.00 +0.252 A ATOM 37 O LIG 1 -5.966 -5.630 -0.171 0.00 0.00 -0.268 OA ATOM 38 N LIG 1 -4.176 -4.568 0.870 0.00 0.00 -0.318 N ATOM 39 C LIG 1 -4.482 -5.129 2.177 0.00 0.00 +0.152 C ATOM 40 C LIG 1 -3.071 -3.741 0.747 0.00 0.00 +0.102 A BRANCH 34 41 ATOM 41 C LIG 1 -3.102 -2.855 -2.918 0.00 0.00 +0.372 C ATOM 42 F LIG 1 -3.165 -1.499 -2.814 0.00 0.00 -0.204 F ATOM 43 F LIG 1 -3.955 -3.183 -3.929 0.00 0.00 -0.204 F ENDBRANCH 34 41 ENDBRANCH 31 33 ENDBRANCH 2 29 TORSDOF 6