REMARK Name = BDB026186 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.591 0.316 -0.076 0.00 0.00 +0.056 A ATOM 2 C LIG 1 -0.924 1.629 -0.484 0.00 0.00 +0.054 A ATOM 3 C LIG 1 0.105 2.498 -0.849 0.00 0.00 +0.064 A ATOM 4 C LIG 1 1.431 2.066 -0.814 0.00 0.00 +0.133 A ATOM 5 F LIG 1 2.377 2.941 -1.188 0.00 0.00 -0.205 F ATOM 6 C LIG 1 1.788 0.767 -0.417 0.00 0.00 +0.022 A ATOM 7 C LIG 1 0.744 -0.102 -0.046 0.00 0.00 +0.036 A ENDROOT BRANCH 2 8 ATOM 8 N LIG 1 -2.295 1.998 -0.499 0.00 0.00 -0.325 N ATOM 9 C LIG 1 -2.775 2.368 -1.853 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -4.302 2.670 -1.808 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -4.835 2.943 -3.218 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -4.682 3.722 -0.817 0.00 0.00 -0.297 NA ATOM 13 C LIG 1 -4.272 5.068 -1.223 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -4.140 3.323 0.518 0.00 0.00 +0.071 C ATOM 15 C LIG 1 -4.495 4.307 1.637 0.00 0.00 +0.026 C ATOM 16 C LIG 1 -2.610 3.030 0.518 0.00 0.00 +0.123 C ENDBRANCH 2 8 BRANCH 6 17 ATOM 17 C LIG 1 3.190 0.324 -0.389 0.00 0.00 +0.021 A ATOM 18 C LIG 1 3.606 -0.924 -0.809 0.00 0.00 +0.124 A ATOM 19 N LIG 1 4.887 -1.357 -0.793 0.00 0.00 -0.222 NA ATOM 20 C LIG 1 5.830 -0.520 -0.331 0.00 0.00 +0.218 A ATOM 21 N LIG 1 5.531 0.716 0.099 0.00 0.00 -0.222 NA ATOM 22 C LIG 1 4.236 1.105 0.060 0.00 0.00 +0.124 A BRANCH 20 23 ATOM 23 N LIG 1 7.163 -0.934 -0.331 0.00 0.00 -0.295 N ATOM 24 C LIG 1 7.330 -2.396 -0.295 0.00 0.00 +0.139 C ATOM 25 C LIG 1 8.828 -2.760 -0.391 0.00 0.00 +0.133 C ATOM 26 C LIG 1 9.037 -4.259 -0.225 0.00 0.00 +0.039 C ATOM 27 O LIG 1 9.590 -2.097 0.636 0.00 0.00 -0.374 OA ATOM 28 C LIG 1 9.466 -0.672 0.499 0.00 0.00 +0.179 C ATOM 29 C LIG 1 8.007 -0.215 0.634 0.00 0.00 +0.136 C ENDBRANCH 20 23 ENDBRANCH 6 17 BRANCH 1 31 ATOM 30 C LIG 1 -1.684 -1.800 0.722 0.00 0.00 +0.248 C ATOM 31 N LIG 1 -1.686 -0.499 0.276 0.00 0.00 -0.280 N ATOM 32 H LIG 1 -2.563 0.013 0.214 0.00 0.00 +0.155 HD ATOM 33 O LIG 1 -0.696 -2.492 0.937 0.00 0.00 -0.270 OA BRANCH 30 41 ATOM 34 C LIG 1 -6.629 -2.181 -0.267 0.00 0.00 +0.047 C ATOM 35 C LIG 1 -5.419 -2.557 0.534 0.00 0.00 -0.014 A ATOM 36 C LIG 1 -5.515 -3.526 1.539 0.00 0.00 +0.129 A ATOM 37 F LIG 1 -6.706 -4.089 1.793 0.00 0.00 -0.205 F ATOM 38 C LIG 1 -4.399 -3.927 2.280 0.00 0.00 -0.014 A ATOM 39 C LIG 1 -4.531 -4.991 3.327 0.00 0.00 +0.047 C ATOM 40 C LIG 1 -3.154 -3.355 1.988 0.00 0.00 +0.019 A ATOM 41 C LIG 1 -3.035 -2.379 0.988 0.00 0.00 +0.038 A ATOM 42 C LIG 1 -4.166 -1.996 0.251 0.00 0.00 +0.019 A ENDBRANCH 30 41 ENDBRANCH 1 31 TORSDOF 5