REMARK Name = BDB027088 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.996 -2.220 -0.067 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.660 -3.541 0.610 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -1.711 -4.739 -0.123 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.403 -5.959 0.482 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.051 -6.000 1.829 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.015 -4.824 2.575 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.323 -3.603 1.972 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.927 -1.135 0.239 0.00 0.00 +0.186 C ATOM 9 O LIG 1 -1.112 -0.314 1.144 0.00 0.00 -0.290 OA BRANCH 8 14 ATOM 10 C LIG 1 3.606 1.516 -0.942 0.00 0.00 +0.039 A ATOM 11 C LIG 1 3.440 0.345 -1.697 0.00 0.00 +0.039 A ATOM 12 C LIG 1 2.295 -0.429 -1.467 0.00 0.00 +0.048 A ATOM 13 C LIG 1 1.319 -0.079 -0.533 0.00 0.00 +0.010 A ATOM 14 C LIG 1 0.299 -1.091 -0.570 0.00 0.00 +0.044 A ATOM 15 C LIG 1 0.700 -2.014 -1.521 0.00 0.00 +0.095 A ATOM 16 C LIG 1 1.498 1.113 0.202 0.00 0.00 +0.011 A ATOM 17 N LIG 1 1.898 -1.608 -2.048 0.00 0.00 -0.360 N ATOM 18 H LIG 1 2.422 -2.099 -2.761 0.00 0.00 +0.165 HD ATOM 19 C LIG 1 2.636 1.903 -0.013 0.00 0.00 +0.014 A BRANCH 10 22 ATOM 20 N LIG 1 5.288 3.085 -0.126 0.00 0.00 -0.312 N ATOM 21 H LIG 1 4.912 2.912 0.796 0.00 0.00 +0.149 HD ATOM 22 C LIG 1 4.829 2.333 -1.188 0.00 0.00 +0.244 C ATOM 23 O LIG 1 5.389 2.285 -2.278 0.00 0.00 -0.270 OA BRANCH 20 25 ATOM 24 C LIG 1 7.733 2.975 0.073 0.00 0.00 +0.024 C ATOM 25 C LIG 1 6.520 3.842 -0.215 0.00 0.00 +0.101 C ENDBRANCH 20 25 ENDBRANCH 10 22 ENDBRANCH 8 14 ENDBRANCH 1 8 BRANCH 1 26 ATOM 26 N LIG 1 -3.336 -1.762 0.381 0.00 0.00 -0.303 NA ATOM 27 H LIG 1 -3.199 -1.027 1.082 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 -4.194 -1.278 -0.702 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C LIG 1 -3.799 0.066 -1.343 0.00 0.00 +0.050 C BRANCH 29 30 ATOM 30 C LIG 1 -3.893 1.266 -0.428 0.00 0.00 -0.046 A ATOM 31 C LIG 1 -2.770 2.076 -0.208 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -2.847 3.190 0.632 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -4.055 3.517 1.253 0.00 0.00 +0.052 A ATOM 34 C LIG 1 -5.185 2.727 1.026 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -5.105 1.611 0.188 0.00 0.00 +0.005 A BRANCH 33 36 ATOM 36 C LIG 1 -4.138 4.663 2.110 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -4.208 5.598 2.795 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 10