REMARK Name = BDB043755 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.985 -1.722 0.921 0.00 0.00 +0.147 C ENDROOT BRANCH 1 5 ATOM 2 C LIG 1 4.492 1.703 0.422 0.00 0.00 +0.087 A ATOM 3 C LIG 1 3.646 0.756 1.091 0.00 0.00 +0.183 A ATOM 4 N LIG 1 2.708 0.075 0.369 0.00 0.00 -0.282 N ATOM 5 C LIG 1 2.079 -0.752 1.276 0.00 0.00 +0.150 A ATOM 6 N LIG 1 2.651 -0.581 2.458 0.00 0.00 -0.133 NA ATOM 7 C LIG 1 2.597 0.289 -0.992 0.00 0.00 +0.122 A ATOM 8 C LIG 1 3.420 1.190 -1.571 0.00 0.00 +0.088 A ATOM 9 N LIG 1 3.626 0.385 2.347 0.00 0.00 -0.128 NA ATOM 10 N LIG 1 4.388 1.900 -0.867 0.00 0.00 -0.246 NA BRANCH 8 11 ATOM 11 C LIG 1 3.332 1.414 -3.030 0.00 0.00 +0.002 A ATOM 12 C LIG 1 4.488 1.356 -3.819 0.00 0.00 +0.010 A ATOM 13 C LIG 1 4.418 1.541 -5.202 0.00 0.00 +0.001 A ATOM 14 C LIG 1 3.190 1.800 -5.810 0.00 0.00 +0.000 A ATOM 15 C LIG 1 2.033 1.874 -5.037 0.00 0.00 +0.001 A ATOM 16 C LIG 1 2.105 1.687 -3.654 0.00 0.00 +0.010 A ENDBRANCH 8 11 BRANCH 2 17 ATOM 17 C LIG 1 5.526 2.473 1.213 0.00 0.00 +0.062 C BRANCH 17 19 ATOM 18 C LIG 1 7.678 2.443 2.499 0.00 0.00 +0.007 C ATOM 19 C LIG 1 6.732 1.614 1.627 0.00 0.00 -0.011 C ATOM 20 C LIG 1 7.482 1.068 0.410 0.00 0.00 +0.007 C ENDBRANCH 17 19 ENDBRANCH 2 17 ENDBRANCH 1 5 BRANCH 1 21 ATOM 21 C LIG 1 -0.294 -0.972 0.520 0.00 0.00 +0.224 C ATOM 22 N LIG 1 -1.363 -1.788 0.218 0.00 0.00 -0.309 N ATOM 23 H LIG 1 -1.168 -2.766 0.046 0.00 0.00 +0.149 HD ATOM 24 O LIG 1 -0.332 0.249 0.389 0.00 0.00 -0.275 OA BRANCH 22 25 ATOM 25 C LIG 1 -2.642 -1.351 -0.361 0.00 0.00 +0.102 C BRANCH 25 26 ATOM 26 C LIG 1 -2.580 -1.268 -1.920 0.00 0.00 +0.138 C BRANCH 26 27 ATOM 27 C LIG 1 -1.605 -0.262 -2.591 0.00 0.00 +0.019 C ATOM 28 C LIG 1 -1.440 -0.523 -4.109 0.00 0.00 +0.006 C ATOM 29 C LIG 1 -2.687 -0.158 -4.911 0.00 0.00 +0.000 C ATOM 30 C LIG 1 -3.103 1.290 -4.670 0.00 0.00 +0.000 C ATOM 31 C LIG 1 -3.238 1.612 -3.184 0.00 0.00 +0.000 C ATOM 32 C LIG 1 -1.981 1.219 -2.413 0.00 0.00 +0.006 C ENDBRANCH 26 27 BRANCH 26 33 ATOM 33 O LIG 1 -2.212 -2.604 -2.347 0.00 0.00 -0.390 OA ATOM 34 H LIG 1 -2.676 -2.773 -3.188 0.00 0.00 +0.210 HD ENDBRANCH 26 33 ENDBRANCH 25 26 BRANCH 25 35 ATOM 35 C LIG 1 -3.316 -0.163 0.348 0.00 0.00 +0.028 C BRANCH 35 36 ATOM 36 C LIG 1 -3.799 -0.473 1.786 0.00 0.00 -0.009 C ATOM 37 C LIG 1 -5.045 -1.375 1.795 0.00 0.00 +0.003 C ATOM 38 C LIG 1 -5.574 -1.613 3.209 0.00 0.00 +0.000 C ATOM 39 C LIG 1 -5.837 -0.305 3.948 0.00 0.00 +0.000 C ATOM 40 C LIG 1 -4.610 0.596 3.946 0.00 0.00 +0.000 C ATOM 41 C LIG 1 -4.096 0.843 2.529 0.00 0.00 +0.003 C ENDBRANCH 35 36 ENDBRANCH 25 35 ENDBRANCH 22 25 ENDBRANCH 1 21 BRANCH 1 42 ATOM 42 C LIG 1 0.785 -2.825 1.984 0.00 0.00 +0.057 C BRANCH 42 43 ATOM 43 C LIG 1 -0.179 -2.577 3.119 0.00 0.00 -0.028 A ATOM 44 C LIG 1 -1.278 -3.417 3.305 0.00 0.00 +0.114 A ATOM 45 N LIG 1 -2.179 -3.298 4.305 0.00 0.00 -0.263 NA ATOM 46 C LIG 1 -1.967 -2.301 5.189 0.00 0.00 +0.111 A ATOM 47 C LIG 1 -0.907 -1.416 5.110 0.00 0.00 +0.020 A ATOM 48 C LIG 1 -0.005 -1.558 4.056 0.00 0.00 +0.006 A ENDBRANCH 42 43 ENDBRANCH 1 42 TORSDOF 13