REMARK Name = BDB031900 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.115 0.397 -2.386 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -1.406 -0.749 -1.976 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -0.160 -0.584 -1.360 0.00 0.00 +0.068 A ATOM 4 C LIG 1 0.427 0.655 -1.148 0.00 0.00 +0.041 A ATOM 5 C LIG 1 1.673 0.374 -0.502 0.00 0.00 +0.152 A ATOM 6 N LIG 1 1.837 -0.941 -0.332 0.00 0.00 -0.158 NA ATOM 7 C LIG 1 -0.264 1.804 -1.577 0.00 0.00 +0.014 A ATOM 8 N LIG 1 0.728 -1.487 -0.851 0.00 0.00 -0.275 N ATOM 9 H LIG 1 0.635 -2.495 -0.826 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -1.518 1.654 -2.191 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -4.344 -1.062 1.454 0.00 0.00 +0.120 A ATOM 12 C LIG 1 -4.107 -0.365 0.260 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -4.698 -0.802 -0.915 0.00 0.00 -0.007 A ATOM 14 C LIG 1 -4.669 -0.309 -2.335 0.00 0.00 +0.081 C ATOM 15 C LIG 1 -3.464 0.263 -3.054 0.00 0.00 +0.040 C ATOM 16 C LIG 1 -5.595 -1.252 -3.069 0.00 0.00 +0.228 C ATOM 17 N LIG 1 -6.050 -2.176 -2.145 0.00 0.00 -0.284 N ATOM 18 H LIG 1 -6.693 -2.914 -2.386 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 -5.870 -1.190 -4.255 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 -4.622 1.157 -2.658 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -5.537 -1.925 -0.871 0.00 0.00 +0.038 A ATOM 22 C LIG 1 -5.796 -2.633 0.283 0.00 0.00 +0.027 A ATOM 23 C LIG 1 -5.184 -2.191 1.460 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 -3.876 -1.216 3.784 0.00 0.00 +0.277 C ATOM 25 O LIG 1 -3.702 -0.541 2.545 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 2.524 1.364 -0.141 0.00 0.00 -0.293 N ATOM 27 H LIG 1 2.251 2.325 -0.336 0.00 0.00 +0.154 HD BRANCH 26 28 ATOM 28 C LIG 1 3.787 1.351 0.494 0.00 0.00 +0.096 A ATOM 29 C LIG 1 4.443 2.570 0.753 0.00 0.00 +0.236 A ATOM 30 N LIG 1 5.650 2.689 1.352 0.00 0.00 -0.219 NA ATOM 31 C LIG 1 6.248 1.530 1.719 0.00 0.00 +0.128 A ATOM 32 C LIG 1 5.708 0.263 1.520 0.00 0.00 +0.057 A ATOM 33 C LIG 1 4.455 0.191 0.896 0.00 0.00 +0.043 A BRANCH 32 34 ATOM 34 C LIG 1 6.445 -0.911 1.957 0.00 0.00 +0.229 A ATOM 35 O LIG 1 5.864 -2.134 1.732 0.00 0.00 -0.444 OA ATOM 36 C LIG 1 6.760 -3.028 2.231 0.00 0.00 +0.217 A ATOM 37 C LIG 1 7.826 -2.326 2.730 0.00 0.00 +0.152 A ATOM 38 N LIG 1 7.622 -0.981 2.554 0.00 0.00 -0.217 NA ENDBRANCH 32 34 BRANCH 29 39 ATOM 39 O LIG 1 3.771 3.717 0.349 0.00 0.00 -0.478 OA ATOM 40 C LIG 1 4.490 4.912 0.639 0.00 0.00 +0.279 C ENDBRANCH 29 39 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 6