REMARK Name = BDB024985 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.806 -0.611 -1.720 0.00 0.00 +0.407 C ATOM 2 N LIG 1 5.004 -1.006 -0.635 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.508 -2.131 0.183 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.723 -1.712 1.026 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.471 -2.759 1.128 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.108 -2.804 0.473 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.715 -1.389 0.157 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.404 -0.912 0.370 0.00 0.00 +0.095 A ATOM 9 N LIG 1 0.325 -1.577 0.885 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.675 -0.718 0.882 0.00 0.00 +0.116 A ATOM 11 N LIG 1 -0.270 0.525 0.397 0.00 0.00 -0.296 N ATOM 12 C LIG 1 1.071 0.399 0.050 0.00 0.00 +0.074 A ATOM 13 C LIG 1 2.027 1.298 -0.439 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.323 0.813 -0.658 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.678 -0.516 -0.395 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.941 -1.039 -1.917 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.071 1.688 0.228 0.00 0.00 +0.049 A ATOM 18 C LIG 1 -0.996 2.416 -0.964 0.00 0.00 +0.030 A ATOM 19 C LIG 1 -1.812 3.535 -1.147 0.00 0.00 +0.047 A ATOM 20 C LIG 1 -2.699 3.945 -0.149 0.00 0.00 +0.120 A ATOM 21 C LIG 1 -2.759 3.227 1.045 0.00 0.00 +0.047 A ATOM 22 C LIG 1 -1.947 2.102 1.236 0.00 0.00 +0.030 A BRANCH 20 23 ATOM 23 O LIG 1 -3.440 5.050 -0.462 0.00 0.00 -0.495 OA ATOM 24 C LIG 1 -4.366 5.504 0.517 0.00 0.00 +0.277 C ENDBRANCH 20 23 ENDBRANCH 11 17 BRANCH 1 26 ATOM 25 C LIG 1 5.988 0.598 -3.727 0.00 0.00 +0.282 C ATOM 26 O LIG 1 5.197 0.242 -2.593 0.00 0.00 -0.453 OA ENDBRANCH 1 26 BRANCH 10 27 ATOM 27 C LIG 1 -2.084 -1.117 1.218 0.00 0.00 +0.094 C BRANCH 27 28 ATOM 28 C LIG 1 -2.979 -1.213 -0.027 0.00 0.00 +0.135 C BRANCH 28 29 ATOM 29 C LIG 1 -4.454 -1.154 0.351 0.00 0.00 -0.033 A ATOM 30 C LIG 1 -5.236 -0.069 -0.076 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -6.583 0.022 0.277 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -7.166 -0.969 1.064 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -6.403 -2.050 1.498 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -5.055 -2.142 1.147 0.00 0.00 +0.004 A ENDBRANCH 28 29 BRANCH 28 35 ATOM 35 C LIG 1 -2.619 -2.464 -0.810 0.00 0.00 +0.313 C ATOM 36 O LIG 1 -2.867 -3.623 -0.517 0.00 0.00 -0.250 OA BRANCH 35 37 ATOM 37 O LIG 1 -1.919 -2.186 -1.931 0.00 0.00 -0.480 OA ATOM 38 H LIG 1 -1.700 -3.070 -2.293 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 28 35 ENDBRANCH 27 28 ENDBRANCH 10 27 TORSDOF 8