REMARK Name = BDB035517 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.040 0.758 -0.670 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -1.208 1.386 -0.766 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -1.510 2.555 -0.917 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -2.226 0.333 -0.654 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -3.603 0.453 -0.685 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -4.370 -0.716 -0.565 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -3.721 -1.963 -0.399 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -2.316 -2.067 -0.365 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -1.585 -0.890 -0.500 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.106 -0.680 -0.503 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 3.782 1.211 -0.676 0.00 0.00 -0.032 A ATOM 12 C LIG 1 2.496 0.633 -0.620 0.00 0.00 +0.028 A ATOM 13 C LIG 1 1.313 1.391 -0.725 0.00 0.00 +0.037 A ATOM 14 C LIG 1 1.444 2.773 -0.882 0.00 0.00 +0.023 A ATOM 15 C LIG 1 2.702 3.377 -0.931 0.00 0.00 +0.002 A ATOM 16 C LIG 1 3.854 2.603 -0.828 0.00 0.00 +0.005 A BRANCH 11 18 ATOM 17 C LIG 1 5.959 0.277 -1.787 0.00 0.00 +0.034 C ATOM 18 C LIG 1 5.049 0.374 -0.560 0.00 0.00 +0.061 C ATOM 19 C LIG 1 5.164 -0.921 -1.348 0.00 0.00 +0.026 C BRANCH 18 20 ATOM 20 C LIG 1 5.737 0.484 0.851 0.00 0.00 +0.144 A ATOM 21 N LIG 1 5.629 -0.378 1.904 0.00 0.00 -0.320 N ATOM 22 C LIG 1 4.855 -1.584 1.974 0.00 0.00 +0.151 C ATOM 23 C LIG 1 6.408 0.137 2.893 0.00 0.00 +0.224 A ATOM 24 N LIG 1 6.958 1.256 2.483 0.00 0.00 -0.138 NA ATOM 25 N LIG 1 6.528 1.481 1.195 0.00 0.00 -0.134 NA ENDBRANCH 18 20 BRANCH 17 26 ATOM 26 C LIG 1 7.455 0.328 -1.676 0.00 0.00 +0.164 C BRANCH 26 28 ATOM 27 C LIG 1 9.257 -0.548 -0.443 0.00 0.00 +0.193 C ATOM 28 O LIG 1 7.950 -0.795 -0.945 0.00 0.00 -0.383 OA ENDBRANCH 26 28 ENDBRANCH 17 26 ENDBRANCH 11 18 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 -1.623 -3.391 -0.194 0.00 0.00 +0.418 C ATOM 30 F LIG 1 -2.471 -4.440 -0.027 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -0.792 -3.401 0.885 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -0.839 -3.703 -1.263 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 -5.881 -0.630 -0.573 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 -6.367 -0.228 0.745 0.00 0.00 -0.307 NA ATOM 35 H LIG 1 -6.085 -0.924 1.433 0.00 0.00 +0.123 HD BRANCH 34 36 ATOM 36 C LIG 1 -7.806 0.069 0.750 0.00 0.00 +0.017 C ATOM 37 C LIG 1 -8.109 0.788 2.099 0.00 0.00 +0.022 C ATOM 38 C LIG 1 -8.916 1.825 1.289 0.00 0.00 +0.004 C ATOM 39 C LIG 1 -8.062 1.440 0.062 0.00 0.00 +0.022 C ATOM 40 C LIG 1 -8.707 -1.106 0.419 0.00 0.00 +0.027 C ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 9