REMARK Name = BDB038922 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.252 -1.654 -0.373 0.00 0.00 +0.403 C ATOM 2 N LIG 1 5.348 -0.623 -0.560 0.00 0.00 -0.263 N ATOM 3 C LIG 1 3.942 -0.917 -0.306 0.00 0.00 +0.148 C ATOM 4 C LIG 1 3.043 0.293 -0.262 0.00 0.00 +0.001 A ATOM 5 C LIG 1 3.530 1.595 -0.517 0.00 0.00 -0.039 A ATOM 6 C LIG 1 2.675 2.703 -0.453 0.00 0.00 +0.006 A ATOM 7 C LIG 1 1.315 2.562 -0.162 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.835 1.268 0.069 0.00 0.00 +0.071 A ATOM 9 N LIG 1 -0.406 0.749 0.391 0.00 0.00 -0.309 N ATOM 10 C LIG 1 -0.283 -0.629 0.447 0.00 0.00 +0.199 A ATOM 11 N LIG 1 0.965 -0.994 0.277 0.00 0.00 -0.214 NA ATOM 12 C LIG 1 4.997 1.800 -0.802 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.668 0.153 0.021 0.00 0.00 +0.096 A ATOM 14 C LIG 1 5.640 0.544 -1.382 0.00 0.00 +0.116 C ATOM 15 O LIG 1 5.965 -2.736 0.128 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 N LIG 1 -1.342 -1.453 0.693 0.00 0.00 -0.301 N ATOM 17 C LIG 1 -2.321 -1.596 -0.401 0.00 0.00 +0.109 C ATOM 18 C LIG 1 -2.429 -3.040 -0.887 0.00 0.00 +0.033 C ATOM 19 C LIG 1 -2.805 -3.998 0.252 0.00 0.00 +0.101 C ATOM 20 C LIG 1 -2.232 -3.553 1.602 0.00 0.00 +0.033 C ATOM 21 C LIG 1 -0.990 -2.692 1.409 0.00 0.00 +0.109 C BRANCH 19 22 ATOM 22 C LIG 1 -4.294 -4.205 0.396 0.00 0.00 +0.308 C ATOM 23 O LIG 1 -4.825 -5.193 0.879 0.00 0.00 -0.251 OA BRANCH 22 24 ATOM 24 O LIG 1 -5.048 -3.164 0.003 0.00 0.00 -0.480 OA ATOM 25 H LIG 1 -5.964 -3.456 0.202 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 19 22 ENDBRANCH 10 16 BRANCH 1 27 ATOM 26 C LIG 1 8.466 -2.377 -0.620 0.00 0.00 +0.282 C ATOM 27 O LIG 1 7.504 -1.338 -0.805 0.00 0.00 -0.454 OA ENDBRANCH 1 27 BRANCH 9 28 ATOM 28 C LIG 1 -1.621 1.510 0.702 0.00 0.00 +0.092 C ATOM 29 C LIG 1 -1.417 2.442 1.903 0.00 0.00 +0.031 C BRANCH 28 30 ATOM 30 C LIG 1 -2.163 2.229 -0.549 0.00 0.00 +0.060 C BRANCH 30 31 ATOM 31 C LIG 1 -3.557 2.783 -0.373 0.00 0.00 -0.045 A ATOM 32 C LIG 1 -4.671 1.933 -0.406 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -5.957 2.445 -0.230 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -6.143 3.809 -0.020 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -5.043 4.664 0.013 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -3.756 4.154 -0.163 0.00 0.00 +0.004 A ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 9 28 TORSDOF 7