REMARK Name = BDB034520 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.681 1.753 -1.970 0.00 0.00 +0.097 C ATOM 2 C LIG 1 0.476 2.779 -1.727 0.00 0.00 +0.190 C ATOM 3 C LIG 1 0.207 4.152 -2.373 0.00 0.00 +0.046 C ATOM 4 C LIG 1 -0.605 4.021 -3.655 0.00 0.00 +0.004 C ATOM 5 C LIG 1 -1.980 3.406 -3.392 0.00 0.00 +0.002 C ATOM 6 C LIG 1 -2.017 2.500 -2.155 0.00 0.00 +0.022 C ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 -1.733 -0.553 0.309 0.00 0.00 +0.020 C ATOM 8 C LIG 1 -1.483 -0.462 -1.222 0.00 0.00 +0.090 C ATOM 9 N LIG 1 -0.603 0.691 -0.945 0.00 0.00 -0.295 NA ATOM 10 C LIG 1 -1.348 0.954 0.303 0.00 0.00 +0.090 C BRANCH 7 14 ATOM 11 C LIG 1 -5.453 -1.976 2.033 0.00 0.00 +0.119 C ATOM 12 C LIG 1 -4.347 -1.470 2.960 0.00 0.00 +0.032 C ATOM 13 C LIG 1 -3.335 -0.570 2.244 0.00 0.00 +0.006 C ATOM 14 C LIG 1 -3.152 -0.909 0.755 0.00 0.00 -0.005 C ATOM 15 C LIG 1 -3.431 -2.391 0.495 0.00 0.00 +0.006 C ATOM 16 C LIG 1 -4.867 -2.785 0.864 0.00 0.00 +0.032 C BRANCH 11 17 ATOM 17 O LIG 1 -6.157 -0.832 1.533 0.00 0.00 -0.374 OA BRANCH 17 19 ATOM 18 C LIG 1 -8.416 -0.899 2.381 0.00 0.00 +0.037 C ATOM 19 C LIG 1 -7.515 -1.095 1.167 0.00 0.00 +0.112 C ATOM 20 C LIG 1 -7.886 -0.112 0.062 0.00 0.00 +0.037 C ENDBRANCH 17 19 ENDBRANCH 11 17 ENDBRANCH 7 14 ENDBRANCH 1 9 BRANCH 2 21 ATOM 21 O LIG 1 1.674 2.248 -2.341 0.00 0.00 -0.487 OA BRANCH 21 22 ATOM 22 C LIG 1 2.667 1.971 -1.441 0.00 0.00 +0.121 A ATOM 23 C LIG 1 3.116 0.648 -1.379 0.00 0.00 +0.051 A ATOM 24 C LIG 1 4.157 0.356 -0.516 0.00 0.00 -0.015 A ATOM 25 C LIG 1 4.832 -0.948 -0.246 0.00 0.00 +0.144 C ATOM 26 N LIG 1 5.829 -0.584 0.757 0.00 0.00 -0.282 N ATOM 27 C LIG 1 5.823 0.774 1.038 0.00 0.00 +0.248 C ATOM 28 O LIG 1 6.588 1.391 1.755 0.00 0.00 -0.270 OA ATOM 29 C LIG 1 4.735 1.368 0.253 0.00 0.00 +0.042 A ATOM 30 C LIG 1 4.322 2.687 0.191 0.00 0.00 +0.017 A ATOM 31 C LIG 1 3.272 2.989 -0.679 0.00 0.00 +0.046 A BRANCH 26 32 ATOM 32 C LIG 1 6.923 -1.459 1.173 0.00 0.00 +0.163 C ATOM 33 C LIG 1 6.550 -2.946 1.321 0.00 0.00 +0.240 C ATOM 34 O LIG 1 5.402 -3.366 1.459 0.00 0.00 -0.273 OA ATOM 35 N LIG 1 7.608 -3.830 1.332 0.00 0.00 -0.255 N ATOM 36 H LIG 1 7.359 -4.806 1.429 0.00 0.00 +0.158 HD ATOM 37 C LIG 1 8.903 -3.588 0.946 0.00 0.00 +0.219 C ATOM 38 O LIG 1 9.705 -4.509 0.808 0.00 0.00 -0.275 OA ATOM 39 C LIG 1 9.288 -2.141 0.744 0.00 0.00 +0.098 C ATOM 40 C LIG 1 8.114 -1.328 0.219 0.00 0.00 +0.041 C ENDBRANCH 26 32 ENDBRANCH 21 22 ENDBRANCH 2 21 TORSDOF 7