REMARK Name = BDB034259 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -3.890 0.844 -0.685 0.00 0.00 -0.282 N ATOM 2 C LIG 1 -3.842 0.594 0.675 0.00 0.00 +0.248 C ATOM 3 O LIG 1 -4.502 1.101 1.560 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -2.785 -0.399 0.889 0.00 0.00 +0.042 A ATOM 5 C LIG 1 -2.180 -0.656 -0.340 0.00 0.00 -0.015 A ATOM 6 C LIG 1 -1.135 -1.556 -0.426 0.00 0.00 +0.051 A ATOM 7 C LIG 1 -0.703 -2.173 0.751 0.00 0.00 +0.121 A ATOM 8 C LIG 1 -1.335 -1.927 1.984 0.00 0.00 +0.046 A ATOM 9 C LIG 1 -2.391 -1.016 2.062 0.00 0.00 +0.017 A ATOM 10 C LIG 1 -2.814 0.172 -1.403 0.00 0.00 +0.144 C ENDROOT BRANCH 1 17 ATOM 11 O LIG 1 -6.964 4.497 0.978 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 -6.319 3.693 0.308 0.00 0.00 +0.219 C ATOM 13 N LIG 1 -5.089 4.033 -0.189 0.00 0.00 -0.255 N ATOM 14 H LIG 1 -4.746 4.941 0.091 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 -4.217 3.263 -0.914 0.00 0.00 +0.240 C ATOM 16 O LIG 1 -3.083 3.671 -1.170 0.00 0.00 -0.273 OA ATOM 17 C LIG 1 -4.697 1.873 -1.332 0.00 0.00 +0.163 C ATOM 18 C LIG 1 -6.209 1.694 -1.224 0.00 0.00 +0.041 C ATOM 19 C LIG 1 -6.827 2.304 0.021 0.00 0.00 +0.098 C ENDBRANCH 1 17 BRANCH 7 20 ATOM 20 O LIG 1 0.317 -3.078 0.643 0.00 0.00 -0.487 OA BRANCH 20 21 ATOM 21 C LIG 1 1.505 -2.682 1.362 0.00 0.00 +0.190 C ATOM 22 C LIG 1 2.659 -2.323 0.365 0.00 0.00 +0.097 C ATOM 23 C LIG 1 2.993 -3.576 -0.480 0.00 0.00 +0.022 C ATOM 24 C LIG 1 3.381 -4.765 0.399 0.00 0.00 +0.002 C ATOM 25 C LIG 1 2.304 -5.096 1.423 0.00 0.00 +0.004 C ATOM 26 C LIG 1 1.916 -3.870 2.246 0.00 0.00 +0.046 C BRANCH 22 27 ATOM 27 N LIG 1 2.310 -1.198 -0.540 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 3.498 -0.650 -1.242 0.00 0.00 +0.094 C ATOM 29 C LIG 1 3.613 0.472 -0.189 0.00 0.00 +0.047 C ATOM 30 C LIG 1 2.166 0.089 0.186 0.00 0.00 +0.094 C BRANCH 29 31 ATOM 31 C LIG 1 3.937 1.954 -0.661 0.00 0.00 -0.042 A ATOM 32 C LIG 1 5.016 2.677 -0.114 0.00 0.00 +0.004 A ATOM 33 C LIG 1 5.317 3.983 -0.513 0.00 0.00 +0.000 A ATOM 34 C LIG 1 4.541 4.610 -1.480 0.00 0.00 +0.000 A ATOM 35 C LIG 1 3.468 3.931 -2.045 0.00 0.00 +0.000 A ATOM 36 C LIG 1 3.175 2.625 -1.640 0.00 0.00 +0.004 A ENDBRANCH 29 31 ENDBRANCH 22 27 ENDBRANCH 20 21 ENDBRANCH 7 20 TORSDOF 5