REMARK Name = BDB022760 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.785 2.079 -2.724 0.00 0.00 +0.101 A ATOM 2 C LIG 1 -1.496 2.349 -1.516 0.00 0.00 +0.080 A ATOM 3 C LIG 1 -0.502 2.696 -0.617 0.00 0.00 +0.122 A ATOM 4 N LIG 1 0.685 2.590 -1.282 0.00 0.00 -0.266 N ATOM 5 N LIG 1 0.539 2.267 -2.580 0.00 0.00 -0.173 NA ENDROOT BRANCH 2 6 ATOM 6 C LIG 1 -2.933 2.277 -1.287 0.00 0.00 +0.248 C ATOM 7 N LIG 1 -3.309 2.334 0.037 0.00 0.00 -0.307 N ATOM 8 H LIG 1 -2.591 2.350 0.748 0.00 0.00 +0.149 HD ATOM 9 O LIG 1 -3.746 2.180 -2.200 0.00 0.00 -0.270 OA BRANCH 7 10 ATOM 10 C LIG 1 -4.678 2.137 0.454 0.00 0.00 +0.141 C BRANCH 10 11 ATOM 11 C LIG 1 -5.004 0.675 0.668 0.00 0.00 -0.010 A ATOM 12 C LIG 1 -4.337 -0.118 1.620 0.00 0.00 +0.057 A ATOM 13 C LIG 1 -4.681 -1.468 1.775 0.00 0.00 +0.023 A ATOM 14 C LIG 1 -5.681 -2.042 0.984 0.00 0.00 +0.047 A ATOM 15 C LIG 1 -6.347 -1.270 0.034 0.00 0.00 +0.120 A ATOM 16 C LIG 1 -6.012 0.079 -0.112 0.00 0.00 +0.052 A BRANCH 12 17 ATOM 17 C LIG 1 -3.288 0.425 2.435 0.00 0.00 +0.099 C ATOM 18 N LIG 1 -2.432 0.908 3.054 0.00 0.00 -0.191 NA ENDBRANCH 12 17 BRANCH 15 19 ATOM 19 O LIG 1 -7.341 -1.706 -0.797 0.00 0.00 -0.495 OA ATOM 20 C LIG 1 -7.539 -3.111 -0.878 0.00 0.00 +0.277 C ENDBRANCH 15 19 ENDBRANCH 10 11 ENDBRANCH 7 10 ENDBRANCH 2 6 BRANCH 1 21 ATOM 21 C LIG 1 -1.336 1.612 -4.040 0.00 0.00 +0.217 C BRANCH 21 23 ATOM 22 C LIG 1 -0.453 -0.591 -4.125 0.00 0.00 +0.194 C ATOM 23 O LIG 1 -1.628 0.206 -4.069 0.00 0.00 -0.377 OA ENDBRANCH 21 23 ENDBRANCH 1 21 BRANCH 4 24 ATOM 24 C LIG 1 2.011 2.825 -0.728 0.00 0.00 +0.178 C BRANCH 24 25 ATOM 25 C LIG 1 2.591 1.565 -0.135 0.00 0.00 -0.026 A ATOM 26 C LIG 1 2.297 1.187 1.183 0.00 0.00 +0.006 A ATOM 27 C LIG 1 2.828 0.011 1.720 0.00 0.00 +0.006 A ATOM 28 C LIG 1 3.663 -0.809 0.952 0.00 0.00 -0.028 A ATOM 29 C LIG 1 3.954 -0.433 -0.366 0.00 0.00 +0.006 A ATOM 30 C LIG 1 3.419 0.739 -0.906 0.00 0.00 +0.006 A BRANCH 28 31 ATOM 31 C LIG 1 4.266 -2.068 1.534 0.00 0.00 +0.160 C BRANCH 31 32 ATOM 32 N LIG 1 5.636 -1.868 2.002 0.00 0.00 -0.311 N ATOM 33 C LIG 1 6.688 -2.214 1.153 0.00 0.00 +0.252 A ATOM 34 O LIG 1 6.560 -2.708 0.036 0.00 0.00 -0.268 OA ATOM 35 C LIG 1 8.058 -1.953 1.676 0.00 0.00 +0.070 A ATOM 36 C LIG 1 8.229 -1.425 2.895 0.00 0.00 +0.007 A ATOM 37 C LIG 1 7.091 -1.097 3.714 0.00 0.00 +0.018 A ATOM 38 C LIG 1 5.853 -1.316 3.255 0.00 0.00 +0.089 A ENDBRANCH 31 32 ENDBRANCH 28 31 ENDBRANCH 24 25 ENDBRANCH 4 24 TORSDOF 11