REMARK Name = BDB040333 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.477 1.464 -0.995 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.006 0.545 -0.057 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.528 -0.406 0.485 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.397 0.918 0.231 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -2.297 0.303 1.083 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -3.583 0.850 1.183 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -3.915 1.997 0.420 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -2.986 2.612 -0.441 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -1.718 2.043 -0.519 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.536 2.455 -1.335 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 4.034 0.475 -1.829 0.00 0.00 -0.039 A ATOM 12 C LIG 1 2.727 0.494 -1.282 0.00 0.00 +0.027 A ATOM 13 C LIG 1 1.776 1.484 -1.574 0.00 0.00 +0.037 A ATOM 14 C LIG 1 2.153 2.499 -2.458 0.00 0.00 +0.023 A ATOM 15 C LIG 1 3.436 2.529 -3.008 0.00 0.00 +0.002 A ATOM 16 C LIG 1 4.361 1.535 -2.690 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 5.094 -0.704 -1.431 0.00 0.00 +0.005 C ATOM 18 C LIG 1 6.078 -1.175 -2.576 0.00 0.00 +0.030 C ATOM 19 C LIG 1 5.000 -2.201 -3.000 0.00 0.00 +0.093 C ATOM 20 C LIG 1 4.513 -2.176 -1.530 0.00 0.00 +0.030 C BRANCH 19 21 ATOM 21 C LIG 1 5.482 -3.475 -3.483 0.00 0.00 +0.066 C ATOM 22 N LIG 1 5.847 -4.502 -3.883 0.00 0.00 -0.196 NA ENDBRANCH 19 21 BRANCH 17 23 ATOM 23 C LIG 1 5.751 -0.280 -0.101 0.00 0.00 +0.088 C BRANCH 23 26 ATOM 24 C LIG 1 4.934 -2.080 2.302 0.00 0.00 +0.151 C ATOM 25 N LIG 1 6.203 -2.087 1.626 0.00 0.00 -0.320 N ATOM 26 C LIG 1 6.593 -1.310 0.564 0.00 0.00 +0.134 A ATOM 27 N LIG 1 7.835 -1.622 0.254 0.00 0.00 -0.135 NA ATOM 28 N LIG 1 8.255 -2.615 1.106 0.00 0.00 -0.138 NA ATOM 29 C LIG 1 7.265 -2.882 1.924 0.00 0.00 +0.224 A ENDBRANCH 23 26 ENDBRANCH 17 23 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 -3.348 3.820 -1.263 0.00 0.00 +0.418 C ATOM 31 F LIG 1 -4.575 4.333 -0.984 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -3.340 3.552 -2.597 0.00 0.00 -0.166 F ATOM 33 F LIG 1 -2.463 4.841 -1.087 0.00 0.00 -0.166 F ENDBRANCH 8 30 BRANCH 6 34 ATOM 34 C LIG 1 -4.619 0.223 2.091 0.00 0.00 +0.116 C BRANCH 34 35 ATOM 35 N LIG 1 -5.730 -0.305 1.299 0.00 0.00 -0.307 NA ATOM 36 H LIG 1 -5.376 -1.055 0.706 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 -6.887 -0.699 2.126 0.00 0.00 +0.017 C ATOM 38 C LIG 1 -8.041 -1.050 1.141 0.00 0.00 +0.022 C ATOM 39 C LIG 1 -8.484 0.426 1.187 0.00 0.00 +0.004 C ATOM 40 C LIG 1 -7.709 0.563 2.513 0.00 0.00 +0.022 C ATOM 41 C LIG 1 -6.599 -1.746 3.182 0.00 0.00 +0.027 C ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 9