REMARK Name = BDB049878 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.313 -1.438 -1.006 0.00 0.00 -0.285 N ATOM 2 C LIG 1 1.023 -0.978 -0.892 0.00 0.00 +0.039 A ATOM 3 C LIG 1 2.030 -1.475 -1.744 0.00 0.00 -0.025 A ATOM 4 C LIG 1 3.353 -1.007 -1.637 0.00 0.00 +0.014 A ATOM 5 C LIG 1 3.708 -0.040 -0.689 0.00 0.00 -0.006 A ATOM 6 C LIG 1 2.733 0.443 0.195 0.00 0.00 +0.027 A ATOM 7 C LIG 1 1.744 -2.561 -2.750 0.00 0.00 +0.038 C ATOM 8 C LIG 1 0.256 -2.750 -2.985 0.00 0.00 +0.024 C ATOM 9 C LIG 1 1.408 -0.030 0.072 0.00 0.00 +0.033 A ATOM 10 C LIG 1 -0.481 -2.745 -1.653 0.00 0.00 +0.113 C ENDROOT BRANCH 1 16 ATOM 11 C LIG 1 -3.515 2.006 0.802 0.00 0.00 +0.062 A ATOM 12 C LIG 1 -2.909 0.734 0.510 0.00 0.00 +0.017 A ATOM 13 C LIG 1 -3.693 -0.263 1.086 0.00 0.00 +0.069 A ATOM 14 C LIG 1 -3.386 -1.623 0.968 0.00 0.00 +0.070 A ATOM 15 N LIG 1 -2.267 -1.955 0.263 0.00 0.00 -0.234 NA ATOM 16 C LIG 1 -1.458 -1.020 -0.288 0.00 0.00 +0.126 A ATOM 17 N LIG 1 -4.731 0.370 1.727 0.00 0.00 -0.359 N ATOM 18 H LIG 1 -5.457 -0.102 2.248 0.00 0.00 +0.165 HD ATOM 19 C LIG 1 -1.764 0.337 -0.201 0.00 0.00 +0.054 A ATOM 20 C LIG 1 -4.638 1.728 1.566 0.00 0.00 +0.096 A BRANCH 11 24 ATOM 21 C LIG 1 -3.562 5.708 0.195 0.00 0.00 +0.128 C ATOM 22 N LIG 1 -3.873 4.379 0.652 0.00 0.00 -0.314 N ATOM 23 H LIG 1 -4.820 4.177 0.932 0.00 0.00 +0.149 HD ATOM 24 C LIG 1 -3.024 3.323 0.386 0.00 0.00 +0.246 C ATOM 25 O LIG 1 -1.945 3.477 -0.177 0.00 0.00 -0.270 OA ENDBRANCH 11 24 BRANCH 14 26 ATOM 26 C LIG 1 -4.200 -2.749 1.563 0.00 0.00 +0.034 C ATOM 27 C LIG 1 -4.712 -3.688 0.469 0.00 0.00 +0.014 C ATOM 28 C LIG 1 -3.382 -3.516 2.603 0.00 0.00 +0.014 C ENDBRANCH 14 26 ENDBRANCH 1 16 BRANCH 5 29 ATOM 29 C LIG 1 5.088 0.399 -0.644 0.00 0.00 +0.020 A ATOM 30 C LIG 1 5.506 1.697 -0.842 0.00 0.00 +0.116 A ATOM 31 N LIG 1 6.867 1.674 -0.748 0.00 0.00 -0.274 N ATOM 32 C LIG 1 7.765 2.796 -0.879 0.00 0.00 +0.172 C ATOM 33 N LIG 1 7.368 0.447 -0.513 0.00 0.00 -0.179 NA ATOM 34 C LIG 1 6.283 -0.331 -0.466 0.00 0.00 +0.142 A ENDBRANCH 5 29 BRANCH 6 35 ATOM 35 C LIG 1 3.053 1.446 1.275 0.00 0.00 +0.372 C ATOM 36 F LIG 1 2.108 1.501 2.260 0.00 0.00 -0.204 F ATOM 37 F LIG 1 3.152 2.720 0.800 0.00 0.00 -0.204 F ENDBRANCH 6 35 TORSDOF 5