REMARK Name = BDB039360 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.624 2.492 -4.208 0.00 0.00 +0.150 C ATOM 2 N LIG 1 -1.624 2.256 -3.195 0.00 0.00 -0.335 N ATOM 3 C LIG 1 -1.392 1.579 -2.024 0.00 0.00 +0.141 A ATOM 4 C LIG 1 -2.585 1.549 -1.308 0.00 0.00 +0.023 A ATOM 5 C LIG 1 -2.587 0.896 -0.059 0.00 0.00 -0.021 A ATOM 6 C LIG 1 -1.363 0.328 0.343 0.00 0.00 +0.034 A ATOM 7 C LIG 1 -0.226 0.410 -0.467 0.00 0.00 +0.074 A ATOM 8 C LIG 1 -3.552 2.239 -2.095 0.00 0.00 +0.029 A ATOM 9 N LIG 1 -0.209 1.047 -1.663 0.00 0.00 -0.229 NA ATOM 10 C LIG 1 -2.931 2.663 -3.252 0.00 0.00 +0.088 A ENDROOT BRANCH 7 11 ATOM 11 C LIG 1 1.065 -0.194 -0.066 0.00 0.00 +0.001 A ATOM 12 C LIG 1 2.280 0.456 -0.380 0.00 0.00 +0.016 A ATOM 13 C LIG 1 3.482 -0.120 0.001 0.00 0.00 -0.017 A ATOM 14 C LIG 1 4.876 0.371 -0.195 0.00 0.00 +0.144 C ATOM 15 N LIG 1 5.676 -0.717 0.355 0.00 0.00 -0.282 N ATOM 16 C LIG 1 4.889 -1.691 0.953 0.00 0.00 +0.248 C ATOM 17 O LIG 1 5.253 -2.667 1.581 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 3.493 -1.331 0.685 0.00 0.00 +0.042 A ATOM 19 C LIG 1 2.338 -2.009 1.013 0.00 0.00 +0.014 A ATOM 20 C LIG 1 1.122 -1.433 0.628 0.00 0.00 +0.011 A BRANCH 15 21 ATOM 21 C LIG 1 7.106 -0.612 0.617 0.00 0.00 +0.163 C ATOM 22 C LIG 1 7.422 0.382 1.747 0.00 0.00 +0.240 C ATOM 23 O LIG 1 6.584 0.869 2.502 0.00 0.00 -0.273 OA ATOM 24 N LIG 1 8.750 0.724 1.873 0.00 0.00 -0.255 N ATOM 25 H LIG 1 8.946 1.391 2.607 0.00 0.00 +0.158 HD ATOM 26 C LIG 1 9.687 0.683 0.872 0.00 0.00 +0.219 C ATOM 27 O LIG 1 10.721 1.339 0.945 0.00 0.00 -0.275 OA ATOM 28 C LIG 1 9.384 -0.221 -0.300 0.00 0.00 +0.098 C ATOM 29 C LIG 1 7.898 -0.219 -0.626 0.00 0.00 +0.041 C ENDBRANCH 15 21 ENDBRANCH 7 11 BRANCH 5 30 ATOM 30 C LIG 1 -3.803 0.792 0.838 0.00 0.00 +0.120 C BRANCH 30 31 ATOM 31 N LIG 1 -4.162 -0.596 1.150 0.00 0.00 -0.297 NA ATOM 32 C LIG 1 -4.973 -0.742 2.364 0.00 0.00 +0.090 C ATOM 33 C LIG 1 -6.491 -0.963 2.196 0.00 0.00 +0.029 C ATOM 34 C LIG 1 -6.717 -2.081 1.187 0.00 0.00 +0.014 C ATOM 35 C LIG 1 -6.157 -1.592 -0.143 0.00 0.00 +0.029 C ATOM 36 C LIG 1 -6.910 -0.324 -0.562 0.00 0.00 +0.164 C ATOM 37 O LIG 1 -6.861 0.712 0.417 0.00 0.00 -0.379 OA ATOM 38 C LIG 1 -7.240 0.288 1.723 0.00 0.00 +0.164 C ATOM 39 C LIG 1 -4.635 -1.382 0.002 0.00 0.00 +0.090 C ENDBRANCH 30 31 ENDBRANCH 5 30 TORSDOF 4