REMARK Name = BDB034297 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.034 1.511 1.380 0.00 0.00 -0.343 N ATOM 2 H LIG 1 2.542 1.596 2.260 0.00 0.00 +0.146 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 2.974 1.474 0.315 0.00 0.00 +0.038 A ATOM 4 C LIG 1 4.210 0.780 0.394 0.00 0.00 +0.021 A ATOM 5 C LIG 1 5.027 0.784 -0.760 0.00 0.00 +0.073 A ATOM 6 C LIG 1 6.246 0.121 -0.726 0.00 0.00 +0.040 A ATOM 7 C LIG 1 6.699 -0.564 0.412 0.00 0.00 +0.057 A ATOM 8 C LIG 1 5.897 -0.565 1.555 0.00 0.00 +0.013 A ATOM 9 N LIG 1 4.681 1.398 -1.901 0.00 0.00 -0.255 NA ATOM 10 C LIG 1 3.496 2.039 -1.942 0.00 0.00 +0.113 A ATOM 11 C LIG 1 4.668 0.095 1.545 0.00 0.00 +0.012 A ATOM 12 C LIG 1 2.619 2.099 -0.880 0.00 0.00 +0.043 A BRANCH 7 13 ATOM 13 C LIG 1 8.042 -1.249 0.402 0.00 0.00 +0.417 C ATOM 14 F LIG 1 8.351 -1.802 -0.803 0.00 0.00 -0.166 F ATOM 15 F LIG 1 8.130 -2.263 1.308 0.00 0.00 -0.166 F ATOM 16 F LIG 1 9.060 -0.396 0.698 0.00 0.00 -0.166 F ENDBRANCH 7 13 ENDBRANCH 1 3 BRANCH 1 17 ATOM 17 C LIG 1 1.160 0.328 1.426 0.00 0.00 +0.103 C BRANCH 17 18 ATOM 18 C LIG 1 -0.072 0.503 0.536 0.00 0.00 +0.034 C BRANCH 18 19 ATOM 19 C LIG 1 -1.030 -0.685 0.701 0.00 0.00 +0.086 C BRANCH 19 20 ATOM 20 N LIG 1 -2.257 -0.518 -0.104 0.00 0.00 -0.302 NA BRANCH 20 21 ATOM 21 C LIG 1 -3.367 -1.329 0.436 0.00 0.00 +0.084 C BRANCH 21 22 ATOM 22 C LIG 1 -3.961 -0.792 1.751 0.00 0.00 +0.015 C BRANCH 22 23 ATOM 23 C LIG 1 -4.393 0.679 1.722 0.00 0.00 +0.001 C BRANCH 23 25 ATOM 24 C LIG 1 -6.741 0.289 0.802 0.00 0.00 +0.004 C ATOM 25 C LIG 1 -5.431 1.046 0.659 0.00 0.00 -0.003 C ENDBRANCH 23 25 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 20 21 BRANCH 20 26 ATOM 26 C LIG 1 -2.003 -0.864 -1.519 0.00 0.00 +0.084 C BRANCH 26 27 ATOM 27 C LIG 1 -3.014 -0.202 -2.463 0.00 0.00 +0.012 C ATOM 28 C LIG 1 -2.681 -0.492 -3.920 0.00 0.00 +0.005 C ENDBRANCH 26 27 ENDBRANCH 20 26 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 1 17 TORSDOF 12