REMARK Name = BDB055700 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.008 0.379 -0.811 0.00 0.00 +0.247 C ATOM 2 N LIG 1 -1.103 0.985 -0.157 0.00 0.00 -0.295 N ATOM 3 O LIG 1 -0.060 -0.084 -1.948 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 8 ATOM 4 C LIG 1 3.670 0.364 -0.033 0.00 0.00 +0.163 A ATOM 5 C LIG 1 3.698 -0.093 1.296 0.00 0.00 +0.162 A ATOM 6 C LIG 1 2.489 -0.421 1.920 0.00 0.00 +0.050 A ATOM 7 C LIG 1 1.276 -0.270 1.237 0.00 0.00 +0.017 A ATOM 8 C LIG 1 1.266 0.231 -0.069 0.00 0.00 +0.041 A ATOM 9 C LIG 1 2.464 0.538 -0.712 0.00 0.00 +0.062 A BRANCH 5 10 ATOM 10 O LIG 1 4.929 -0.172 1.889 0.00 0.00 -0.491 OA ATOM 11 C LIG 1 4.989 -0.672 3.218 0.00 0.00 +0.277 C ENDBRANCH 5 10 BRANCH 4 12 ATOM 12 O LIG 1 4.810 0.722 -0.709 0.00 0.00 -0.488 OA BRANCH 12 13 ATOM 13 C LIG 1 5.551 -0.440 -1.112 0.00 0.00 +0.231 C BRANCH 13 14 ATOM 14 C LIG 1 6.539 -0.001 -2.190 0.00 0.00 +0.069 C BRANCH 14 15 ATOM 15 C LIG 1 7.342 -1.170 -2.747 0.00 0.00 +0.163 C BRANCH 15 17 ATOM 16 C LIG 1 9.222 -1.229 -1.292 0.00 0.00 +0.193 C ATOM 17 O LIG 1 8.044 -1.890 -1.736 0.00 0.00 -0.383 OA ENDBRANCH 15 17 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 12 13 ENDBRANCH 4 12 ENDBRANCH 1 8 BRANCH 2 18 ATOM 18 C LIG 1 -0.842 2.211 0.641 0.00 0.00 +0.070 C ATOM 19 C LIG 1 -0.771 3.456 -0.251 0.00 0.00 +0.028 C ATOM 20 C LIG 1 -1.834 2.411 1.785 0.00 0.00 +0.028 C ENDBRANCH 2 18 BRANCH 2 21 ATOM 21 C LIG 1 -2.397 0.878 -0.855 0.00 0.00 +0.113 C BRANCH 21 22 ATOM 22 C LIG 1 -3.161 -0.445 -0.673 0.00 0.00 +0.025 C ATOM 23 C LIG 1 -3.546 -0.817 0.766 0.00 0.00 +0.013 C ATOM 24 C LIG 1 -3.766 -2.336 0.707 0.00 0.00 +0.085 C ATOM 25 N LIG 1 -3.319 -2.767 -0.620 0.00 0.00 -0.315 NA ATOM 26 H LIG 1 -2.822 -3.655 -0.575 0.00 0.00 +0.122 HD ATOM 27 C LIG 1 -2.445 -1.708 -1.133 0.00 0.00 +0.086 C BRANCH 23 28 ATOM 28 C LIG 1 -4.694 -0.026 1.415 0.00 0.00 +0.040 C BRANCH 28 29 ATOM 29 C LIG 1 -6.013 0.030 0.681 0.00 0.00 -0.047 A ATOM 30 C LIG 1 -7.009 -0.927 0.918 0.00 0.00 +0.003 A ATOM 31 C LIG 1 -8.230 -0.867 0.243 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -8.473 0.155 -0.671 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -7.497 1.120 -0.908 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -6.276 1.060 -0.233 0.00 0.00 +0.003 A ENDBRANCH 28 29 ENDBRANCH 23 28 ENDBRANCH 21 22 ENDBRANCH 2 21 TORSDOF 12