REMARK Name = BDB034589 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.348 1.359 1.300 0.00 0.00 -0.280 N ATOM 2 H LIG 1 -0.259 2.064 1.710 0.00 0.00 +0.155 HD ATOM 3 C LIG 1 -0.320 0.246 0.822 0.00 0.00 +0.267 C ATOM 4 O LIG 1 0.182 -0.775 0.369 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 4.032 1.124 0.622 0.00 0.00 -0.006 A ATOM 6 C LIG 1 2.658 0.823 0.598 0.00 0.00 +0.030 A ATOM 7 C LIG 1 1.730 1.616 1.282 0.00 0.00 +0.034 A ATOM 8 C LIG 1 2.175 2.744 1.976 0.00 0.00 +0.023 A ATOM 9 C LIG 1 3.530 3.064 2.008 0.00 0.00 +0.002 A ATOM 10 C LIG 1 4.451 2.259 1.340 0.00 0.00 +0.007 A BRANCH 5 11 ATOM 11 C LIG 1 5.086 0.296 -0.124 0.00 0.00 +0.172 C ATOM 12 F LIG 1 6.294 0.415 0.534 0.00 0.00 -0.234 F ATOM 13 C LIG 1 5.286 0.896 -1.524 0.00 0.00 +0.056 C BRANCH 11 14 ATOM 14 C LIG 1 4.757 -1.219 -0.187 0.00 0.00 +0.274 C ATOM 15 F LIG 1 3.735 -1.439 -1.067 0.00 0.00 -0.233 F BRANCH 14 18 ATOM 16 C LIG 1 6.759 -2.596 1.749 0.00 0.00 +0.151 C ATOM 17 N LIG 1 6.807 -2.638 0.313 0.00 0.00 -0.318 N ATOM 18 C LIG 1 5.941 -2.048 -0.573 0.00 0.00 +0.171 A ATOM 19 N LIG 1 6.345 -2.334 -1.798 0.00 0.00 -0.132 NA ATOM 20 N LIG 1 7.476 -3.108 -1.710 0.00 0.00 -0.138 NA ATOM 21 C LIG 1 7.743 -3.279 -0.438 0.00 0.00 +0.224 A ENDBRANCH 14 18 ENDBRANCH 11 14 ENDBRANCH 5 11 ENDBRANCH 1 7 BRANCH 3 22 ATOM 22 C LIG 1 -1.811 0.370 0.923 0.00 0.00 +0.129 A ATOM 23 N LIG 1 -2.269 1.552 1.406 0.00 0.00 -0.227 NA ATOM 24 C LIG 1 -3.603 1.702 1.446 0.00 0.00 +0.133 A ATOM 25 N LIG 1 -4.465 0.738 1.064 0.00 0.00 -0.235 NA ATOM 26 C LIG 1 -3.970 -0.433 0.599 0.00 0.00 +0.059 A ATOM 27 C LIG 1 -2.615 -0.667 0.517 0.00 0.00 +0.057 A BRANCH 24 28 ATOM 28 C LIG 1 -4.167 3.018 1.925 0.00 0.00 +0.057 C ATOM 29 C LIG 1 -5.051 3.833 1.004 0.00 0.00 +0.012 C ATOM 30 C LIG 1 -3.671 4.319 1.333 0.00 0.00 +0.012 C ENDBRANCH 24 28 BRANCH 26 31 ATOM 31 C LIG 1 -4.978 -1.494 0.200 0.00 0.00 +0.140 C BRANCH 31 32 ATOM 32 N LIG 1 -4.620 -2.222 -1.025 0.00 0.00 -0.291 NA ATOM 33 C LIG 1 -5.733 -3.109 -1.448 0.00 0.00 +0.126 C ATOM 34 C LIG 1 -5.529 -2.611 -2.904 0.00 0.00 +0.134 C ATOM 35 F LIG 1 -4.722 -3.383 -3.677 0.00 0.00 -0.240 F ATOM 36 C LIG 1 -6.799 -2.307 -3.679 0.00 0.00 +0.050 C ATOM 37 C LIG 1 -4.850 -1.387 -2.232 0.00 0.00 +0.126 C ENDBRANCH 31 32 ENDBRANCH 26 31 ENDBRANCH 3 22 TORSDOF 8