REMARK Name = BDB059001 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.178 -1.026 -2.101 0.00 0.00 -0.293 N ATOM 2 C LIG 1 1.031 -0.296 -2.399 0.00 0.00 +0.247 C ATOM 3 O LIG 1 0.911 0.397 -3.405 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -0.104 -0.385 -1.431 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -1.182 0.498 -1.584 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -2.276 0.449 -0.714 0.00 0.00 -0.026 A ATOM 7 C LIG 1 -2.287 -0.533 0.288 0.00 0.00 +0.014 A ATOM 8 C LIG 1 -1.220 -1.436 0.458 0.00 0.00 -0.013 A ATOM 9 C LIG 1 -0.104 -1.344 -0.401 0.00 0.00 -0.026 A ATOM 10 C LIG 1 1.070 -2.286 -0.295 0.00 0.00 +0.055 C ATOM 11 C LIG 1 2.345 -1.604 -0.775 0.00 0.00 +0.113 C ENDROOT BRANCH 8 12 ATOM 12 C LIG 1 -1.308 -2.434 1.538 0.00 0.00 -0.015 A ATOM 13 C LIG 1 -1.810 -3.739 1.320 0.00 0.00 -0.040 A ATOM 14 C LIG 1 -2.296 -4.183 -0.034 0.00 0.00 +0.044 C ATOM 15 C LIG 1 -1.858 -4.645 2.393 0.00 0.00 +0.042 A ATOM 16 C LIG 1 -1.427 -4.259 3.657 0.00 0.00 +0.124 A ATOM 17 F LIG 1 -1.482 -5.137 4.668 0.00 0.00 -0.205 F ATOM 18 C LIG 1 -0.944 -2.981 3.888 0.00 0.00 +0.039 A ATOM 19 C LIG 1 -0.887 -2.071 2.833 0.00 0.00 +0.011 A ENDBRANCH 8 12 BRANCH 1 20 ATOM 20 C LIG 1 3.363 -0.853 -2.933 0.00 0.00 +0.143 C BRANCH 20 27 ATOM 21 C LIG 1 4.638 3.948 -2.007 0.00 0.00 +0.047 C ATOM 22 C LIG 1 4.928 2.482 -1.901 0.00 0.00 -0.015 A ATOM 23 C LIG 1 6.106 2.036 -1.301 0.00 0.00 +0.126 A ATOM 24 F LIG 1 6.976 2.922 -0.793 0.00 0.00 -0.205 F ATOM 25 C LIG 1 6.405 0.680 -1.214 0.00 0.00 +0.039 A ATOM 26 C LIG 1 5.520 -0.259 -1.743 0.00 0.00 +0.008 A ATOM 27 C LIG 1 4.335 0.159 -2.366 0.00 0.00 -0.030 A ATOM 28 C LIG 1 4.051 1.534 -2.443 0.00 0.00 +0.011 A ENDBRANCH 20 27 ENDBRANCH 1 20 BRANCH 6 29 ATOM 29 C LIG 1 -3.437 1.403 -0.901 0.00 0.00 +0.159 C BRANCH 29 30 ATOM 30 N LIG 1 -3.946 1.917 0.354 0.00 0.00 -0.313 N ATOM 31 C LIG 1 -3.272 2.810 1.198 0.00 0.00 +0.204 A ATOM 32 N LIG 1 -2.084 3.289 1.107 0.00 0.00 -0.268 NA ATOM 33 H LIG 1 -1.623 2.894 0.287 0.00 0.00 +0.190 HD ATOM 34 N LIG 1 -4.201 3.098 2.202 0.00 0.00 -0.320 N ATOM 35 C LIG 1 -3.965 4.074 3.235 0.00 0.00 +0.152 C ATOM 36 C LIG 1 -5.397 2.449 1.943 0.00 0.00 +0.106 A ATOM 37 C LIG 1 -5.243 1.729 0.823 0.00 0.00 +0.107 A ENDBRANCH 29 30 ENDBRANCH 6 29 TORSDOF 5