REMARK Name = BDB032187 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.383 -0.133 2.409 0.00 0.00 +0.126 A ATOM 2 C LIG 1 -3.293 -0.528 1.445 0.00 0.00 +0.024 A ATOM 3 C LIG 1 -4.769 -0.316 1.394 0.00 0.00 +0.148 C ATOM 4 N LIG 1 -5.150 -1.016 0.172 0.00 0.00 -0.281 N ATOM 5 C LIG 1 -4.045 -1.475 -0.530 0.00 0.00 +0.248 C ATOM 6 O LIG 1 -4.020 -2.004 -1.624 0.00 0.00 -0.270 OA ATOM 7 C LIG 1 -2.870 -1.205 0.304 0.00 0.00 +0.045 A ATOM 8 C LIG 1 -1.547 -1.520 0.067 0.00 0.00 +0.020 A ATOM 9 C LIG 1 -0.608 -1.143 1.035 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -1.033 -0.444 2.195 0.00 0.00 +0.053 A ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -6.462 -0.889 -0.450 0.00 0.00 +0.163 C ATOM 12 C LIG 1 -6.698 0.519 -1.024 0.00 0.00 +0.240 C ATOM 13 O LIG 1 -5.822 1.368 -1.172 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 -7.999 0.797 -1.379 0.00 0.00 -0.255 N ATOM 15 H LIG 1 -8.150 1.729 -1.742 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 -9.121 0.186 -0.878 0.00 0.00 +0.219 C ATOM 17 O LIG 1 -10.225 0.712 -0.975 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 -8.923 -1.166 -0.233 0.00 0.00 +0.098 C ATOM 19 C LIG 1 -7.598 -1.233 0.509 0.00 0.00 +0.041 C ENDBRANCH 4 11 BRANCH 1 21 ATOM 20 C LIG 1 -1.979 0.980 4.467 0.00 0.00 +0.277 C ATOM 21 O LIG 1 -2.902 0.531 3.482 0.00 0.00 -0.495 OA ENDBRANCH 1 21 BRANCH 9 22 ATOM 22 C LIG 1 0.858 -1.431 0.824 0.00 0.00 +0.269 C BRANCH 22 23 ATOM 23 O LIG 1 1.428 -0.294 0.172 0.00 0.00 -0.445 OA BRANCH 23 24 ATOM 24 C LIG 1 2.772 -0.381 -0.003 0.00 0.00 +0.405 C ATOM 25 N LIG 1 3.184 0.750 -0.648 0.00 0.00 -0.251 N ATOM 26 H LIG 1 2.428 1.383 -0.868 0.00 0.00 +0.158 HD ATOM 27 O LIG 1 3.446 -1.327 0.372 0.00 0.00 -0.226 OA BRANCH 25 28 ATOM 28 C LIG 1 4.485 1.113 -1.035 0.00 0.00 +0.040 A ATOM 29 C LIG 1 5.618 0.337 -0.783 0.00 0.00 +0.069 A ATOM 30 C LIG 1 6.881 0.767 -1.205 0.00 0.00 +0.123 A ATOM 31 C LIG 1 7.021 1.989 -1.861 0.00 0.00 +0.046 A ATOM 32 C LIG 1 5.895 2.770 -2.116 0.00 0.00 +0.005 A ATOM 33 C LIG 1 4.634 2.333 -1.706 0.00 0.00 +0.023 A BRANCH 30 34 ATOM 34 O LIG 1 7.930 -0.062 -0.889 0.00 0.00 -0.489 OA BRANCH 34 35 ATOM 35 C LIG 1 9.083 0.025 -1.747 0.00 0.00 +0.174 C ATOM 36 C LIG 1 10.298 -0.704 -1.238 0.00 0.00 +0.048 C ATOM 37 C LIG 1 10.260 0.795 -1.212 0.00 0.00 +0.048 C ENDBRANCH 34 35 ENDBRANCH 30 34 ENDBRANCH 25 28 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 9 22 TORSDOF 8