REMARK Name = BDB016478 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.201 -1.273 0.435 0.00 0.00 -0.325 N ATOM 2 H LIG 1 0.181 -1.056 1.350 0.00 0.00 +0.148 HD ENDROOT BRANCH 1 5 ATOM 3 C LIG 1 -0.918 -3.350 2.312 0.00 0.00 +0.049 C ATOM 4 C LIG 1 -1.908 -2.638 1.449 0.00 0.00 +0.007 A ATOM 5 C LIG 1 -1.555 -1.632 0.556 0.00 0.00 +0.126 A ATOM 6 N LIG 1 -2.467 -1.033 -0.228 0.00 0.00 -0.213 NA ATOM 7 C LIG 1 -3.749 -1.419 -0.100 0.00 0.00 +0.162 A ATOM 8 N LIG 1 -4.189 -2.379 0.730 0.00 0.00 -0.235 NA ATOM 9 C LIG 1 -3.250 -2.964 1.490 0.00 0.00 +0.120 A BRANCH 7 10 ATOM 10 C LIG 1 -4.734 -0.804 -0.991 0.00 0.00 +0.023 A ATOM 11 C LIG 1 -5.276 0.494 -0.814 0.00 0.00 -0.034 A ATOM 12 C LIG 1 -6.196 0.975 -1.775 0.00 0.00 +0.004 A ATOM 13 C LIG 1 -6.593 0.202 -2.866 0.00 0.00 +0.000 A ATOM 14 C LIG 1 -6.078 -1.075 -3.028 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -5.160 -1.568 -2.102 0.00 0.00 +0.012 A BRANCH 11 16 ATOM 16 C LIG 1 -4.943 1.443 0.335 0.00 0.00 +0.014 C ATOM 17 C LIG 1 -4.961 0.821 1.734 0.00 0.00 +0.012 C ATOM 18 C LIG 1 -3.642 2.205 0.081 0.00 0.00 +0.012 C ENDBRANCH 11 16 ENDBRANCH 7 10 ENDBRANCH 1 5 BRANCH 1 19 ATOM 19 C LIG 1 0.067 -0.201 -0.516 0.00 0.00 +0.138 C BRANCH 19 20 ATOM 20 C LIG 1 1.550 0.097 -0.505 0.00 0.00 -0.030 A ATOM 21 C LIG 1 2.039 1.294 0.032 0.00 0.00 +0.006 A ATOM 22 C LIG 1 3.413 1.557 0.045 0.00 0.00 +0.009 A ATOM 23 C LIG 1 4.334 0.633 -0.475 0.00 0.00 -0.018 A ATOM 24 C LIG 1 3.834 -0.566 -1.007 0.00 0.00 +0.009 A ATOM 25 C LIG 1 2.462 -0.832 -1.021 0.00 0.00 +0.006 A BRANCH 23 26 ATOM 26 C LIG 1 5.779 0.912 -0.461 0.00 0.00 -0.014 A ATOM 27 C LIG 1 6.438 1.254 0.727 0.00 0.00 +0.040 A ATOM 28 C LIG 1 7.811 1.516 0.714 0.00 0.00 +0.144 A ATOM 29 N LIG 1 8.544 1.444 -0.432 0.00 0.00 -0.251 NA ATOM 30 C LIG 1 7.896 1.115 -1.569 0.00 0.00 +0.112 A ATOM 31 C LIG 1 6.540 0.844 -1.631 0.00 0.00 +0.028 A BRANCH 28 32 ATOM 32 C LIG 1 8.498 1.866 2.027 0.00 0.00 +0.434 C ATOM 33 F LIG 1 7.827 2.831 2.725 0.00 0.00 -0.164 F ATOM 34 F LIG 1 9.772 2.332 1.893 0.00 0.00 -0.164 F ATOM 35 F LIG 1 8.578 0.798 2.875 0.00 0.00 -0.164 F ENDBRANCH 28 32 ENDBRANCH 23 26 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 7