REMARK Name = BDB060094 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.954 0.580 0.294 0.00 0.00 +0.134 A ATOM 2 C LIG 1 -2.421 0.729 -0.990 0.00 0.00 +0.074 A ATOM 3 C LIG 1 -1.470 -0.215 -1.401 0.00 0.00 +0.076 A ATOM 4 C LIG 1 -1.074 -1.287 -0.600 0.00 0.00 +0.131 A ATOM 5 N LIG 1 -0.111 -2.027 -1.250 0.00 0.00 -0.225 NA ATOM 6 C LIG 1 0.100 -1.438 -2.411 0.00 0.00 +0.148 A ATOM 7 C LIG 1 -1.663 -1.447 0.678 0.00 0.00 +0.152 A ATOM 8 N LIG 1 -0.733 -0.351 -2.556 0.00 0.00 -0.328 N ATOM 9 C LIG 1 -0.796 0.528 -3.700 0.00 0.00 +0.150 C ATOM 10 C LIG 1 -2.596 -0.493 1.111 0.00 0.00 +0.094 A ENDROOT BRANCH 1 11 ATOM 11 O LIG 1 -3.899 1.507 0.680 0.00 0.00 -0.456 OA BRANCH 11 16 ATOM 12 C LIG 1 -2.473 3.212 3.591 0.00 0.00 +0.218 A ATOM 13 N LIG 1 -3.555 3.365 4.386 0.00 0.00 -0.221 NA ATOM 14 C LIG 1 -4.729 2.896 3.913 0.00 0.00 +0.118 A ATOM 15 C LIG 1 -4.870 2.269 2.688 0.00 0.00 +0.066 A ATOM 16 C LIG 1 -3.731 2.104 1.909 0.00 0.00 +0.135 A ATOM 17 C LIG 1 -2.508 2.599 2.352 0.00 0.00 +0.113 A BRANCH 12 19 ATOM 18 C LIG 1 -1.280 4.299 5.285 0.00 0.00 +0.279 C ATOM 19 O LIG 1 -1.245 3.698 3.996 0.00 0.00 -0.480 OA ENDBRANCH 12 19 ENDBRANCH 11 16 ENDBRANCH 1 11 BRANCH 6 20 ATOM 20 C LIG 1 1.108 -1.879 -3.423 0.00 0.00 +0.303 C BRANCH 20 21 ATOM 21 O LIG 1 1.928 -0.773 -3.813 0.00 0.00 -0.484 OA BRANCH 21 22 ATOM 22 C LIG 1 2.984 -0.423 -3.018 0.00 0.00 +0.122 A ATOM 23 C LIG 1 3.833 0.536 -3.575 0.00 0.00 +0.060 A ATOM 24 C LIG 1 4.948 0.991 -2.865 0.00 0.00 +0.062 A ATOM 25 C LIG 1 5.205 0.516 -1.576 0.00 0.00 +0.015 A ATOM 26 C LIG 1 4.356 -0.438 -1.017 0.00 0.00 +0.004 A ATOM 27 C LIG 1 3.252 -0.910 -1.738 0.00 0.00 +0.046 A BRANCH 24 28 ATOM 28 C LIG 1 5.821 2.000 -3.504 0.00 0.00 +0.337 C ATOM 29 O LIG 1 5.395 2.921 -4.178 0.00 0.00 -0.245 OA BRANCH 28 30 ATOM 30 O LIG 1 7.134 1.761 -3.307 0.00 0.00 -0.477 OA ATOM 31 H LIG 1 7.332 0.899 -2.894 0.00 0.00 +0.295 HD ENDBRANCH 28 30 ENDBRANCH 24 28 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 6 20 BRANCH 7 32 ATOM 32 O LIG 1 -1.386 -2.432 1.618 0.00 0.00 -0.487 OA BRANCH 32 33 ATOM 33 C LIG 1 -0.788 -3.643 1.143 0.00 0.00 +0.167 C ATOM 34 C LIG 1 0.714 -3.600 1.403 0.00 0.00 +0.051 C ATOM 35 C LIG 1 -1.421 -4.782 1.940 0.00 0.00 +0.051 C ENDBRANCH 32 33 ENDBRANCH 7 32 TORSDOF 10