REMARK Name = BDB034952 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.693 2.660 -0.795 0.00 0.00 +0.125 A ATOM 2 C LIG 1 -4.463 1.524 -0.560 0.00 0.00 +0.059 A ATOM 3 C LIG 1 -3.787 0.332 -0.377 0.00 0.00 +0.049 A ATOM 4 C LIG 1 -4.337 -1.002 -0.116 0.00 0.00 +0.248 C ATOM 5 N LIG 1 -3.263 -1.878 -0.070 0.00 0.00 -0.281 N ATOM 6 C LIG 1 -1.984 -1.180 -0.153 0.00 0.00 +0.148 C ATOM 7 O LIG 1 -5.518 -1.251 0.026 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -2.400 0.229 -0.413 0.00 0.00 +0.024 A ATOM 9 C LIG 1 -1.621 1.346 -0.642 0.00 0.00 +0.130 A ATOM 10 C LIG 1 -2.282 2.564 -0.839 0.00 0.00 +0.091 A ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 -3.400 -3.242 0.425 0.00 0.00 +0.163 C ATOM 12 C LIG 1 -3.097 -3.343 1.930 0.00 0.00 +0.240 C ATOM 13 O LIG 1 -3.011 -2.381 2.690 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 -2.922 -4.622 2.410 0.00 0.00 -0.255 N ATOM 15 H LIG 1 -2.712 -4.682 3.397 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 -2.571 -5.726 1.675 0.00 0.00 +0.219 C ATOM 17 O LIG 1 -2.134 -6.736 2.217 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 -2.778 -5.637 0.181 0.00 0.00 +0.098 C ATOM 19 C LIG 1 -2.514 -4.228 -0.329 0.00 0.00 +0.041 C ENDBRANCH 5 11 BRANCH 1 20 ATOM 20 O LIG 1 -4.168 3.925 -1.008 0.00 0.00 -0.490 OA BRANCH 20 21 ATOM 21 C LIG 1 -5.569 4.177 -0.862 0.00 0.00 +0.257 C BRANCH 21 22 ATOM 22 C LIG 1 -5.964 4.390 0.605 0.00 0.00 +0.200 C BRANCH 22 24 ATOM 23 C LIG 1 -5.841 6.763 0.825 0.00 0.00 +0.194 C ATOM 24 O LIG 1 -5.303 5.506 1.209 0.00 0.00 -0.380 OA ENDBRANCH 22 24 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 1 20 BRANCH 9 25 ATOM 25 O LIG 1 -0.275 1.138 -0.658 0.00 0.00 -0.487 OA BRANCH 25 26 ATOM 26 C LIG 1 0.558 2.291 -0.765 0.00 0.00 +0.264 C BRANCH 26 27 ATOM 27 C LIG 1 1.993 1.833 -0.673 0.00 0.00 -0.010 A ATOM 28 C LIG 1 2.777 1.693 -1.825 0.00 0.00 +0.007 A ATOM 29 C LIG 1 4.101 1.256 -1.734 0.00 0.00 +0.005 A ATOM 30 C LIG 1 4.663 0.936 -0.491 0.00 0.00 -0.033 A ATOM 31 C LIG 1 3.875 1.074 0.661 0.00 0.00 +0.005 A ATOM 32 C LIG 1 2.552 1.511 0.571 0.00 0.00 +0.007 A BRANCH 30 33 ATOM 33 C LIG 1 6.105 0.483 -0.391 0.00 0.00 +0.119 C BRANCH 33 34 ATOM 34 N LIG 1 6.275 -0.765 0.368 0.00 0.00 -0.294 NA ATOM 35 C LIG 1 7.699 -0.966 0.715 0.00 0.00 +0.113 C ATOM 36 C LIG 1 8.014 -2.441 1.000 0.00 0.00 +0.175 C ATOM 37 O LIG 1 7.830 -3.273 -0.154 0.00 0.00 -0.377 OA ATOM 38 C LIG 1 6.814 -2.787 -1.042 0.00 0.00 +0.175 C ATOM 39 C LIG 1 5.736 -1.950 -0.335 0.00 0.00 +0.113 C ENDBRANCH 33 34 ENDBRANCH 30 33 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 9 25 TORSDOF 10