REMARK Name = BDB008471 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.056 1.399 -1.396 0.00 0.00 +0.237 C ATOM 2 N LIG 1 0.954 1.075 -0.489 0.00 0.00 -0.288 N ATOM 3 C LIG 1 2.291 1.581 -0.833 0.00 0.00 +0.162 C ATOM 4 C LIG 1 3.306 0.745 -0.148 0.00 0.00 +0.044 A ATOM 5 C LIG 1 3.107 -0.074 0.939 0.00 0.00 +0.030 A ATOM 6 C LIG 1 1.820 -0.196 1.541 0.00 0.00 +0.088 A ATOM 7 N LIG 1 1.529 -0.943 2.557 0.00 0.00 -0.174 NA ATOM 8 N LIG 1 2.364 -1.769 3.248 0.00 0.00 -0.242 N ATOM 9 H LIG 1 1.887 -2.256 4.004 0.00 0.00 +0.192 HD ATOM 10 C LIG 1 3.700 -2.121 3.212 0.00 0.00 +0.272 A ATOM 11 C LIG 1 4.681 -1.602 2.245 0.00 0.00 +0.050 A ATOM 12 C LIG 1 6.023 -2.026 2.293 0.00 0.00 +0.014 A ATOM 13 C LIG 1 6.965 -1.548 1.380 0.00 0.00 +0.003 A ATOM 14 C LIG 1 6.606 -0.634 0.386 0.00 0.00 +0.026 A ATOM 15 C LIG 1 5.270 -0.220 0.350 0.00 0.00 +0.048 A ATOM 16 O LIG 1 4.096 -2.933 4.055 0.00 0.00 -0.266 OA ATOM 17 C LIG 1 4.319 -0.688 1.260 0.00 0.00 +0.021 A ATOM 18 N LIG 1 4.626 0.654 -0.503 0.00 0.00 -0.356 N ATOM 19 H LIG 1 5.070 1.139 -1.273 0.00 0.00 +0.166 HD ATOM 20 C LIG 1 0.722 0.689 0.925 0.00 0.00 +0.166 C ATOM 21 O LIG 1 0.213 2.003 -2.442 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 22 ATOM 22 C LIG 1 -1.528 1.013 -1.120 0.00 0.00 +0.167 C BRANCH 22 24 ATOM 23 C LIG 1 -2.781 -1.108 -0.902 0.00 0.00 +0.401 C ATOM 24 N LIG 1 -1.608 -0.421 -0.849 0.00 0.00 -0.269 N ATOM 25 H LIG 1 -0.790 -0.999 -0.994 0.00 0.00 +0.153 HD ATOM 26 O LIG 1 -3.886 -0.601 -0.994 0.00 0.00 -0.226 OA BRANCH 23 27 ATOM 27 O LIG 1 -2.504 -2.428 -0.852 0.00 0.00 -0.445 OA BRANCH 27 29 ATOM 28 C LIG 1 -2.854 -4.768 -0.808 0.00 0.00 +0.055 C ATOM 29 C LIG 1 -3.571 -3.412 -0.889 0.00 0.00 +0.107 C ATOM 30 C LIG 1 -4.497 -3.274 0.324 0.00 0.00 +0.055 C ATOM 31 C LIG 1 -4.344 -3.345 -2.211 0.00 0.00 +0.055 C ENDBRANCH 27 29 ENDBRANCH 23 27 ENDBRANCH 22 24 BRANCH 22 32 ATOM 32 C LIG 1 -2.196 1.885 -0.039 0.00 0.00 +0.067 C BRANCH 32 33 ATOM 33 C LIG 1 -2.144 3.366 -0.332 0.00 0.00 -0.045 A ATOM 34 C LIG 1 -1.331 4.218 0.428 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -1.281 5.584 0.148 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -2.044 6.113 -0.890 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -2.859 5.276 -1.649 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -2.912 3.910 -1.371 0.00 0.00 +0.004 A ENDBRANCH 32 33 ENDBRANCH 22 32 ENDBRANCH 1 22 TORSDOF 6