REMARK Name = BDB020706 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.365 1.337 -0.760 0.00 0.00 +0.043 A ATOM 2 C LIG 1 0.159 0.752 0.566 0.00 0.00 -0.017 A ATOM 3 C LIG 1 1.387 0.117 1.178 0.00 0.00 +0.046 C ATOM 4 C LIG 1 -1.089 0.801 1.122 0.00 0.00 +0.044 A ATOM 5 N LIG 1 -2.128 1.421 0.359 0.00 0.00 -0.318 N ATOM 6 C LIG 1 -1.921 2.048 -0.885 0.00 0.00 +0.056 A ATOM 7 C LIG 1 -3.109 2.630 -1.307 0.00 0.00 +0.025 A ATOM 8 C LIG 1 -4.092 2.264 -0.365 0.00 0.00 +0.030 A ATOM 9 C LIG 1 -3.479 1.525 0.618 0.00 0.00 +0.092 A ATOM 10 C LIG 1 -0.616 1.953 -1.441 0.00 0.00 +0.040 A ENDROOT BRANCH 7 11 ATOM 11 C LIG 1 -3.339 3.515 -2.586 0.00 0.00 +0.070 A ATOM 12 N LIG 1 -4.527 3.982 -3.104 0.00 0.00 -0.333 N ATOM 13 C LIG 1 -5.866 3.734 -2.635 0.00 0.00 +0.150 C ATOM 14 C LIG 1 -4.242 4.722 -4.219 0.00 0.00 +0.199 A ATOM 15 N LIG 1 -2.954 4.775 -4.449 0.00 0.00 -0.243 NA ATOM 16 C LIG 1 -2.386 4.036 -3.441 0.00 0.00 +0.139 A ENDBRANCH 7 11 BRANCH 1 19 ATOM 17 N LIG 1 1.765 0.209 -2.328 0.00 0.00 -0.307 N ATOM 18 H LIG 1 1.017 -0.476 -2.348 0.00 0.00 +0.149 HD ATOM 19 C LIG 1 1.677 1.270 -1.463 0.00 0.00 +0.245 C ATOM 20 O LIG 1 2.569 2.078 -1.242 0.00 0.00 -0.270 OA BRANCH 17 21 ATOM 21 C LIG 1 3.005 -0.157 -2.973 0.00 0.00 +0.145 C BRANCH 21 27 ATOM 22 C LIG 1 4.935 -3.204 -0.591 0.00 0.00 +0.195 A ATOM 23 N LIG 1 3.830 -3.453 -1.347 0.00 0.00 -0.293 N ATOM 24 H LIG 1 3.451 -4.390 -1.341 0.00 0.00 +0.172 HD ATOM 25 C LIG 1 3.175 -2.523 -2.106 0.00 0.00 +0.256 A ATOM 26 O LIG 1 2.167 -2.808 -2.746 0.00 0.00 -0.267 OA ATOM 27 C LIG 1 3.743 -1.133 -2.104 0.00 0.00 +0.037 A ATOM 28 C LIG 1 4.845 -0.890 -1.358 0.00 0.00 -0.036 A ATOM 29 C LIG 1 5.541 0.437 -1.231 0.00 0.00 +0.044 C ATOM 30 C LIG 1 5.449 -1.964 -0.575 0.00 0.00 +0.069 A BRANCH 22 32 ATOM 31 C LIG 1 6.518 -4.153 0.919 0.00 0.00 +0.278 C ATOM 32 O LIG 1 5.380 -4.309 0.081 0.00 0.00 -0.481 OA ENDBRANCH 22 32 ENDBRANCH 21 27 ENDBRANCH 17 21 ENDBRANCH 1 19 BRANCH 4 33 ATOM 33 C LIG 1 -1.332 0.248 2.541 0.00 0.00 +0.101 C ATOM 34 C LIG 1 -2.336 0.976 3.455 0.00 0.00 +0.031 C BRANCH 33 35 ATOM 35 N LIG 1 -1.438 -1.222 2.549 0.00 0.00 -0.290 NA ATOM 36 C LIG 1 -1.085 -1.844 3.837 0.00 0.00 +0.113 C ATOM 37 C LIG 1 -1.422 -3.343 3.834 0.00 0.00 +0.175 C ATOM 38 O LIG 1 -2.826 -3.598 3.697 0.00 0.00 -0.377 OA ATOM 39 C LIG 1 -3.524 -2.559 2.999 0.00 0.00 +0.175 C ATOM 40 C LIG 1 -2.653 -1.815 1.972 0.00 0.00 +0.113 C ENDBRANCH 33 35 ENDBRANCH 4 33 TORSDOF 7