REMARK Name = BDB035166 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.981 -0.723 -0.499 0.00 0.00 +0.189 A ATOM 2 N LIG 1 -3.741 -1.358 -1.661 0.00 0.00 -0.143 NA ATOM 3 N LIG 1 -2.405 -1.241 -1.752 0.00 0.00 -0.201 N ATOM 4 C LIG 1 -1.879 -0.548 -0.702 0.00 0.00 +0.163 A ATOM 5 C LIG 1 -0.466 -0.353 -0.692 0.00 0.00 +0.019 A ATOM 6 C LIG 1 0.198 -0.887 -1.747 0.00 0.00 +0.120 A ATOM 7 N LIG 1 -0.359 -1.589 -2.805 0.00 0.00 -0.243 NA ATOM 8 C LIG 1 -1.650 -1.753 -2.790 0.00 0.00 +0.225 A ATOM 9 N LIG 1 -2.854 -0.199 0.108 0.00 0.00 -0.206 NA ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 -5.618 -1.063 1.323 0.00 0.00 +0.229 A ATOM 11 C LIG 1 -5.300 -0.564 0.070 0.00 0.00 +0.104 A ATOM 12 C LIG 1 -6.319 0.106 -0.603 0.00 0.00 +0.062 A ATOM 13 N LIG 1 -7.555 0.234 -0.049 0.00 0.00 -0.239 NA ATOM 14 C LIG 1 -7.747 -0.292 1.167 0.00 0.00 +0.225 A ATOM 15 N LIG 1 -6.835 -0.941 1.894 0.00 0.00 -0.201 NA BRANCH 12 16 ATOM 16 C LIG 1 -6.122 0.727 -1.976 0.00 0.00 +0.039 C ATOM 17 C LIG 1 -5.259 1.960 -2.131 0.00 0.00 +0.010 C ATOM 18 C LIG 1 -6.743 2.068 -2.300 0.00 0.00 +0.010 C ENDBRANCH 12 16 BRANCH 10 20 ATOM 19 C LIG 1 -5.030 -2.154 3.323 0.00 0.00 +0.279 C ATOM 20 O LIG 1 -4.641 -1.763 2.011 0.00 0.00 -0.479 OA ENDBRANCH 10 20 ENDBRANCH 1 11 BRANCH 5 21 ATOM 21 C LIG 1 0.205 0.405 0.444 0.00 0.00 +0.075 C BRANCH 21 22 ATOM 22 C LIG 1 1.716 0.450 0.440 0.00 0.00 -0.043 A ATOM 23 C LIG 1 2.459 -0.584 1.027 0.00 0.00 +0.004 A ATOM 24 C LIG 1 3.857 -0.553 1.006 0.00 0.00 +0.012 A ATOM 25 C LIG 1 4.537 0.502 0.386 0.00 0.00 +0.017 A ATOM 26 C LIG 1 3.792 1.543 -0.182 0.00 0.00 +0.012 A ATOM 27 C LIG 1 2.396 1.516 -0.163 0.00 0.00 +0.004 A BRANCH 25 28 ATOM 28 C LIG 1 5.999 0.563 0.348 0.00 0.00 +0.141 A ATOM 29 N LIG 1 6.837 -0.444 -0.084 0.00 0.00 -0.333 N ATOM 30 C LIG 1 6.451 -1.718 -0.643 0.00 0.00 +0.150 C ATOM 31 C LIG 1 8.130 -0.009 0.038 0.00 0.00 +0.119 A ATOM 32 C LIG 1 8.050 1.286 0.515 0.00 0.00 +0.162 A ATOM 33 N LIG 1 6.714 1.624 0.681 0.00 0.00 -0.224 NA BRANCH 32 34 ATOM 34 C LIG 1 9.164 2.245 0.820 0.00 0.00 +0.436 C ATOM 35 F LIG 1 9.167 2.644 2.119 0.00 0.00 -0.164 F ATOM 36 F LIG 1 9.105 3.368 0.056 0.00 0.00 -0.164 F ATOM 37 F LIG 1 10.387 1.689 0.588 0.00 0.00 -0.164 F ENDBRANCH 32 34 ENDBRANCH 25 28 ENDBRANCH 21 22 ENDBRANCH 5 21 TORSDOF 7