REMARK Name = BDB039317 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.022 0.411 1.871 0.00 0.00 +0.025 A ATOM 2 C LIG 1 -0.317 1.036 3.123 0.00 0.00 +0.145 A ATOM 3 N LIG 1 -1.606 0.848 3.608 0.00 0.00 -0.306 N ATOM 4 C LIG 1 -1.690 1.528 4.797 0.00 0.00 +0.112 A ATOM 5 C LIG 1 -0.454 2.100 4.981 0.00 0.00 +0.131 A ATOM 6 C LIG 1 -2.579 0.096 2.962 0.00 0.00 +0.097 A ATOM 7 C LIG 1 -2.290 -0.493 1.786 0.00 0.00 -0.016 A ATOM 8 N LIG 1 0.388 1.794 3.944 0.00 0.00 -0.235 NA ATOM 9 C LIG 1 -0.940 -0.309 1.243 0.00 0.00 +0.018 A ENDROOT BRANCH 1 16 ATOM 10 N LIG 1 5.285 -0.600 -0.966 0.00 0.00 -0.282 N ATOM 11 C LIG 1 5.119 0.739 -0.659 0.00 0.00 +0.248 C ATOM 12 O LIG 1 5.888 1.658 -0.853 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 3.816 0.865 0.004 0.00 0.00 +0.042 A ATOM 14 C LIG 1 3.278 -0.411 0.146 0.00 0.00 -0.017 A ATOM 15 C LIG 1 2.045 -0.588 0.752 0.00 0.00 +0.014 A ATOM 16 C LIG 1 1.346 0.546 1.212 0.00 0.00 -0.014 A ATOM 17 C LIG 1 1.926 1.829 1.065 0.00 0.00 +0.009 A ATOM 18 C LIG 1 3.173 1.999 0.455 0.00 0.00 +0.014 A ATOM 19 C LIG 1 4.224 -1.424 -0.404 0.00 0.00 +0.144 C BRANCH 10 26 ATOM 20 O LIG 1 9.969 1.060 -1.988 0.00 0.00 -0.275 OA ATOM 21 C LIG 1 8.922 0.427 -1.865 0.00 0.00 +0.219 C ATOM 22 N LIG 1 8.715 -0.365 -0.767 0.00 0.00 -0.255 N ATOM 23 H LIG 1 9.440 -0.329 -0.064 0.00 0.00 +0.158 HD ATOM 24 C LIG 1 7.625 -1.137 -0.462 0.00 0.00 +0.240 C ATOM 25 O LIG 1 7.548 -1.715 0.624 0.00 0.00 -0.273 OA ATOM 26 C LIG 1 6.503 -1.203 -1.498 0.00 0.00 +0.163 C ATOM 27 C LIG 1 6.926 -0.728 -2.886 0.00 0.00 +0.041 C ATOM 28 C LIG 1 7.818 0.500 -2.889 0.00 0.00 +0.098 C ENDBRANCH 10 26 ENDBRANCH 1 16 BRANCH 7 29 ATOM 29 C LIG 1 -3.274 -1.342 1.016 0.00 0.00 +0.121 C BRANCH 29 30 ATOM 30 N LIG 1 -3.523 -0.821 -0.332 0.00 0.00 -0.297 NA ATOM 31 C LIG 1 -4.451 0.341 -0.297 0.00 0.00 +0.094 C ATOM 32 C LIG 1 -5.167 -0.267 -1.533 0.00 0.00 +0.047 C ATOM 33 C LIG 1 -4.585 -1.608 -1.010 0.00 0.00 +0.094 C BRANCH 32 34 ATOM 34 C LIG 1 -6.739 -0.103 -1.684 0.00 0.00 -0.042 A ATOM 35 C LIG 1 -7.646 -0.427 -0.654 0.00 0.00 +0.004 A ATOM 36 C LIG 1 -9.028 -0.276 -0.803 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -9.550 0.208 -1.997 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -8.689 0.540 -3.037 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -7.309 0.385 -2.877 0.00 0.00 +0.004 A ENDBRANCH 32 34 ENDBRANCH 29 30 ENDBRANCH 7 29 TORSDOF 5