REMARK Name = BDB039319 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.274 -0.709 -1.208 0.00 0.00 +0.025 A ATOM 2 C LIG 1 -0.265 -1.715 -2.239 0.00 0.00 +0.145 A ATOM 3 N LIG 1 -1.494 -2.185 -2.689 0.00 0.00 -0.306 N ATOM 4 C LIG 1 -1.232 -3.120 -3.659 0.00 0.00 +0.112 A ATOM 5 C LIG 1 0.138 -3.180 -3.752 0.00 0.00 +0.131 A ATOM 6 C LIG 1 -2.721 -1.752 -2.204 0.00 0.00 +0.097 A ATOM 7 C LIG 1 -2.755 -0.816 -1.237 0.00 0.00 -0.016 A ATOM 8 N LIG 1 0.729 -2.315 -2.871 0.00 0.00 -0.235 NA ATOM 9 C LIG 1 -1.477 -0.306 -0.730 0.00 0.00 +0.018 A ENDROOT BRANCH 1 16 ATOM 10 N LIG 1 5.273 0.088 1.095 0.00 0.00 -0.282 N ATOM 11 C LIG 1 4.573 1.287 1.027 0.00 0.00 +0.248 C ATOM 12 O LIG 1 4.936 2.393 1.378 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 3.260 0.985 0.449 0.00 0.00 +0.042 A ATOM 14 C LIG 1 3.168 -0.393 0.285 0.00 0.00 -0.017 A ATOM 15 C LIG 1 2.022 -0.960 -0.247 0.00 0.00 +0.014 A ATOM 16 C LIG 1 0.956 -0.118 -0.619 0.00 0.00 -0.014 A ATOM 17 C LIG 1 1.084 1.284 -0.449 0.00 0.00 +0.009 A ATOM 18 C LIG 1 2.242 1.847 0.096 0.00 0.00 +0.014 A ATOM 19 C LIG 1 4.416 -1.050 0.770 0.00 0.00 +0.144 C BRANCH 10 26 ATOM 20 O LIG 1 9.173 -1.630 -0.977 0.00 0.00 -0.275 OA ATOM 21 C LIG 1 8.480 -1.114 -0.105 0.00 0.00 +0.219 C ATOM 22 N LIG 1 8.006 -1.857 0.946 0.00 0.00 -0.255 N ATOM 23 H LIG 1 8.268 -2.833 0.943 0.00 0.00 +0.158 HD ATOM 24 C LIG 1 7.050 -1.495 1.866 0.00 0.00 +0.240 C ATOM 25 O LIG 1 6.545 -2.346 2.596 0.00 0.00 -0.273 OA ATOM 26 C LIG 1 6.548 -0.043 1.808 0.00 0.00 +0.163 C ATOM 27 C LIG 1 7.657 0.836 1.219 0.00 0.00 +0.041 C ATOM 28 C LIG 1 8.055 0.332 -0.160 0.00 0.00 +0.098 C ENDBRANCH 10 26 ENDBRANCH 1 16 BRANCH 7 29 ATOM 29 C LIG 1 -4.035 -0.284 -0.629 0.00 0.00 +0.121 C BRANCH 29 30 ATOM 30 N LIG 1 -4.157 1.182 -0.768 0.00 0.00 -0.291 NA ATOM 31 C LIG 1 -5.288 1.757 0.009 0.00 0.00 +0.087 C ATOM 32 C LIG 1 -6.517 1.439 -0.847 0.00 0.00 +0.025 C ATOM 33 C LIG 1 -6.000 1.505 -2.279 0.00 0.00 +0.017 C ATOM 34 C LIG 1 -4.480 1.564 -2.156 0.00 0.00 +0.085 C BRANCH 31 35 ATOM 35 C LIG 1 -5.321 1.409 1.484 0.00 0.00 -0.030 A ATOM 36 C LIG 1 -4.184 1.677 2.270 0.00 0.00 +0.005 A ATOM 37 C LIG 1 -4.167 1.391 3.636 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -5.290 0.839 4.244 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -6.430 0.580 3.487 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -6.448 0.866 2.118 0.00 0.00 +0.005 A ENDBRANCH 31 35 ENDBRANCH 29 30 ENDBRANCH 7 29 TORSDOF 5