REMARK Name = BDB059963 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.380 -0.513 1.944 0.00 0.00 +0.124 A ATOM 2 C LIG 1 1.265 -0.478 1.105 0.00 0.00 +0.001 A ATOM 3 C LIG 1 0.859 -1.635 0.238 0.00 0.00 +0.058 C ATOM 4 C LIG 1 -0.668 -1.750 0.233 0.00 0.00 +0.113 C ATOM 5 N LIG 1 -1.376 -0.505 -0.108 0.00 0.00 -0.292 N ATOM 6 C LIG 1 -0.641 0.780 0.016 0.00 0.00 +0.124 C ATOM 7 C LIG 1 -2.688 -0.446 -0.561 0.00 0.00 +0.220 C ATOM 8 O LIG 1 -3.164 0.607 -0.992 0.00 0.00 -0.275 OA ATOM 9 C LIG 1 0.483 0.687 1.042 0.00 0.00 -0.019 A ATOM 10 C LIG 1 0.781 1.764 1.891 0.00 0.00 +0.006 A ATOM 11 C LIG 1 1.869 1.698 2.761 0.00 0.00 +0.004 A ATOM 12 C LIG 1 2.675 0.561 2.784 0.00 0.00 +0.046 A ENDROOT BRANCH 7 13 ATOM 13 C LIG 1 -3.559 -1.705 -0.464 0.00 0.00 +0.089 C ATOM 14 C LIG 1 -4.039 -1.954 0.977 0.00 0.00 +0.109 C ATOM 15 C LIG 1 -5.002 -3.149 1.066 0.00 0.00 +0.015 C ATOM 16 C LIG 1 -6.129 -3.119 0.034 0.00 0.00 +0.001 C ATOM 17 C LIG 1 -5.611 -2.872 -1.377 0.00 0.00 +0.001 C ATOM 18 C LIG 1 -4.745 -1.618 -1.441 0.00 0.00 +0.013 C BRANCH 14 19 ATOM 19 C LIG 1 -4.653 -0.709 1.593 0.00 0.00 +0.309 C ATOM 20 O LIG 1 -5.823 -0.371 1.565 0.00 0.00 -0.251 OA BRANCH 19 21 ATOM 21 O LIG 1 -3.737 0.055 2.219 0.00 0.00 -0.480 OA ATOM 22 H LIG 1 -4.240 0.850 2.496 0.00 0.00 +0.295 HD ENDBRANCH 19 21 ENDBRANCH 14 19 ENDBRANCH 7 13 BRANCH 1 23 ATOM 23 O LIG 1 3.161 -1.636 1.973 0.00 0.00 -0.489 OA BRANCH 23 24 ATOM 24 C LIG 1 4.405 -1.405 1.292 0.00 0.00 +0.257 C BRANCH 24 25 ATOM 25 C LIG 1 4.854 -2.706 0.621 0.00 0.00 +0.200 C BRANCH 25 27 ATOM 26 C LIG 1 4.150 -2.350 -1.631 0.00 0.00 +0.194 C ATOM 27 O LIG 1 3.992 -3.120 -0.446 0.00 0.00 -0.380 OA ENDBRANCH 25 27 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 1 23 BRANCH 6 28 ATOM 28 C LIG 1 -0.136 1.250 -1.382 0.00 0.00 +0.144 C BRANCH 28 29 ATOM 29 N LIG 1 0.821 2.343 -1.354 0.00 0.00 -0.232 N ATOM 30 C LIG 1 2.163 2.189 -1.581 0.00 0.00 +0.254 C ATOM 31 O LIG 1 2.788 1.192 -1.887 0.00 0.00 -0.270 OA ATOM 32 C LIG 1 2.769 3.504 -1.381 0.00 0.00 +0.049 A ATOM 33 C LIG 1 1.760 4.379 -1.021 0.00 0.00 +0.049 A ATOM 34 C LIG 1 2.009 5.710 -0.749 0.00 0.00 +0.014 A ATOM 35 C LIG 1 3.333 6.147 -0.857 0.00 0.00 +0.001 A ATOM 36 C LIG 1 4.362 5.255 -1.225 0.00 0.00 +0.001 A ATOM 37 C LIG 1 4.084 3.910 -1.492 0.00 0.00 +0.014 A ATOM 38 C LIG 1 0.511 3.622 -0.984 0.00 0.00 +0.254 C ATOM 39 O LIG 1 -0.558 4.086 -0.639 0.00 0.00 -0.270 OA ENDBRANCH 28 29 ENDBRANCH 6 28 TORSDOF 9