REMARK Name = BDB037409 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.997 2.282 1.404 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -0.205 2.314 0.244 0.00 0.00 +0.135 A ATOM 3 C LIG 1 -0.020 1.242 -0.608 0.00 0.00 +0.027 A ATOM 4 C LIG 1 1.074 1.597 -1.433 0.00 0.00 +0.086 A ATOM 5 N LIG 1 1.495 2.841 -1.156 0.00 0.00 -0.168 NA ATOM 6 C LIG 1 -0.789 -0.025 -0.487 0.00 0.00 +0.083 C ATOM 7 C LIG 1 -1.202 -0.234 0.978 0.00 0.00 +0.172 C ATOM 8 N LIG 1 0.552 3.345 -0.313 0.00 0.00 -0.218 N ATOM 9 C LIG 1 -1.615 1.061 1.732 0.00 0.00 +0.242 C ATOM 10 O LIG 1 -2.420 0.969 2.671 0.00 0.00 -0.273 OA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -1.920 0.083 -1.507 0.00 0.00 -0.037 A ATOM 12 C LIG 1 -1.925 -0.810 -2.598 0.00 0.00 +0.007 A ATOM 13 C LIG 1 -2.940 -0.771 -3.554 0.00 0.00 +0.038 A ATOM 14 C LIG 1 -3.962 0.159 -3.427 0.00 0.00 +0.123 A ATOM 15 F LIG 1 -4.938 0.198 -4.344 0.00 0.00 -0.205 F ATOM 16 C LIG 1 -3.988 1.048 -2.361 0.00 0.00 +0.038 A ATOM 17 C LIG 1 -2.974 1.009 -1.402 0.00 0.00 +0.007 A ENDBRANCH 6 11 BRANCH 8 18 ATOM 18 C LIG 1 0.396 4.754 -0.256 0.00 0.00 +0.067 A ATOM 19 C LIG 1 1.516 5.580 -0.425 0.00 0.00 +0.028 A ATOM 20 C LIG 1 1.371 6.968 -0.395 0.00 0.00 +0.002 A ATOM 21 C LIG 1 0.108 7.534 -0.223 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -1.014 6.715 -0.102 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -0.873 5.325 -0.129 0.00 0.00 +0.028 A ENDBRANCH 8 18 BRANCH 7 24 ATOM 24 N LIG 1 -2.269 -1.222 1.190 0.00 0.00 -0.299 N ATOM 25 H LIG 1 -3.087 -0.887 1.687 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 -2.154 -2.538 0.821 0.00 0.00 +0.245 C ATOM 27 O LIG 1 -1.190 -2.985 0.213 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 -3.296 -3.426 1.169 0.00 0.00 +0.037 A ATOM 29 C LIG 1 -4.081 -3.221 2.312 0.00 0.00 +0.025 A ATOM 30 C LIG 1 -5.148 -4.088 2.609 0.00 0.00 +0.056 A ATOM 31 C LIG 1 -5.420 -5.157 1.739 0.00 0.00 +0.012 A ATOM 32 C LIG 1 -4.630 -5.370 0.608 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -3.568 -4.511 0.328 0.00 0.00 +0.013 A BRANCH 30 34 ATOM 34 C LIG 1 -5.998 -3.851 3.833 0.00 0.00 +0.417 C ATOM 35 F LIG 1 -5.261 -3.515 4.928 0.00 0.00 -0.166 F ATOM 36 F LIG 1 -6.886 -2.834 3.654 0.00 0.00 -0.166 F ATOM 37 F LIG 1 -6.737 -4.934 4.200 0.00 0.00 -0.166 F ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 7 24 BRANCH 1 39 ATOM 38 C LIG 1 -2.419 3.959 2.624 0.00 0.00 +0.025 C ATOM 39 C LIG 1 -1.044 3.329 2.428 0.00 0.00 +0.112 C ENDBRANCH 1 39 BRANCH 4 40 ATOM 40 C LIG 1 1.772 0.774 -2.479 0.00 0.00 +0.165 C BRANCH 40 41 ATOM 41 N LIG 1 3.124 0.417 -2.040 0.00 0.00 -0.295 N ATOM 42 C LIG 1 3.252 -0.731 -1.274 0.00 0.00 +0.239 C ATOM 43 O LIG 1 2.326 -1.527 -1.124 0.00 0.00 -0.271 OA ATOM 44 C LIG 1 4.142 1.452 -2.156 0.00 0.00 +0.132 C BRANCH 42 45 ATOM 45 C LIG 1 4.563 -0.978 -0.610 0.00 0.00 +0.064 C ATOM 46 C LIG 1 4.759 -2.103 0.100 0.00 0.00 -0.007 C BRANCH 46 47 ATOM 47 C LIG 1 6.034 -2.425 0.825 0.00 0.00 +0.111 C BRANCH 47 48 ATOM 48 N LIG 1 6.726 -3.643 0.395 0.00 0.00 -0.305 NA ATOM 49 C LIG 1 5.968 -4.860 0.670 0.00 0.00 +0.104 C ATOM 50 C LIG 1 7.153 -3.589 -1.000 0.00 0.00 +0.104 C ENDBRANCH 47 48 ENDBRANCH 46 47 ENDBRANCH 42 45 ENDBRANCH 40 41 ENDBRANCH 4 40 TORSDOF 11