REMARK Name = BDB013491 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.396 1.113 3.957 0.00 0.00 +0.044 C ATOM 2 C LIG 1 -0.448 1.143 2.788 0.00 0.00 -0.046 A ATOM 3 C LIG 1 -0.687 0.404 1.614 0.00 0.00 -0.028 A ATOM 4 C LIG 1 0.225 0.491 0.541 0.00 0.00 +0.009 A ATOM 5 C LIG 1 1.360 1.310 0.598 0.00 0.00 -0.039 A ATOM 6 C LIG 1 1.582 2.030 1.784 0.00 0.00 +0.004 A ATOM 7 C LIG 1 0.692 1.954 2.857 0.00 0.00 +0.004 A ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 -1.915 -0.481 1.459 0.00 0.00 +0.144 C BRANCH 8 9 ATOM 9 N LIG 1 -3.181 0.300 1.378 0.00 0.00 -0.171 NA ATOM 10 S LIG 1 -4.579 -0.562 1.814 0.00 0.00 +0.063 S ATOM 11 O LIG 1 -5.691 0.345 1.995 0.00 0.00 -0.153 OA ATOM 12 O LIG 1 -4.215 -1.455 2.898 0.00 0.00 -0.153 OA ATOM 13 C LIG 1 -4.869 -1.532 0.363 0.00 0.00 +0.126 A ATOM 14 C LIG 1 -5.168 -0.935 -0.872 0.00 0.00 +0.056 A ATOM 15 C LIG 1 -5.343 -1.824 -1.958 0.00 0.00 +0.025 A ATOM 16 C LIG 1 -5.254 -3.213 -1.826 0.00 0.00 +0.002 A ATOM 17 C LIG 1 -4.979 -3.770 -0.587 0.00 0.00 +0.002 A ATOM 18 N LIG 1 -5.297 0.430 -1.156 0.00 0.00 -0.330 N ATOM 19 C LIG 1 -6.682 0.788 -1.514 0.00 0.00 +0.129 C ATOM 20 C LIG 1 -4.622 1.497 -0.385 0.00 0.00 +0.122 C ATOM 21 C LIG 1 -4.784 -2.933 0.506 0.00 0.00 +0.030 A ATOM 22 C LIG 1 -3.229 1.150 0.144 0.00 0.00 +0.128 C ENDBRANCH 8 9 ENDBRANCH 3 8 BRANCH 5 23 ATOM 23 C LIG 1 2.384 1.445 -0.533 0.00 0.00 +0.063 C BRANCH 23 24 ATOM 24 C LIG 1 3.665 0.624 -0.283 0.00 0.00 -0.034 A ATOM 25 C LIG 1 4.960 1.186 -0.489 0.00 0.00 -0.017 A ATOM 26 C LIG 1 5.160 2.621 -0.894 0.00 0.00 +0.046 C ATOM 27 C LIG 1 6.077 0.346 -0.274 0.00 0.00 +0.116 A ATOM 28 N LIG 1 7.417 0.612 -0.399 0.00 0.00 -0.129 NA ATOM 29 N LIG 1 8.091 -0.487 -0.093 0.00 0.00 -0.065 NA ATOM 30 N LIG 1 7.192 -1.437 0.221 0.00 0.00 -0.247 N ATOM 31 C LIG 1 7.649 -2.744 0.611 0.00 0.00 +0.175 C ATOM 32 C LIG 1 5.907 -0.974 0.121 0.00 0.00 +0.089 A ATOM 33 C LIG 1 4.656 -1.548 0.335 0.00 0.00 +0.030 A ATOM 34 C LIG 1 3.547 -0.724 0.124 0.00 0.00 +0.007 A ENDBRANCH 23 24 BRANCH 23 35 ATOM 35 C LIG 1 1.919 1.348 -2.016 0.00 0.00 +0.106 C ATOM 36 C LIG 1 0.783 2.330 -2.335 0.00 0.00 +0.020 C BRANCH 35 37 ATOM 37 C LIG 1 1.556 -0.044 -2.505 0.00 0.00 +0.308 C ATOM 38 O LIG 1 0.414 -0.468 -2.613 0.00 0.00 -0.251 OA BRANCH 37 39 ATOM 39 O LIG 1 2.619 -0.797 -2.867 0.00 0.00 -0.480 OA ATOM 40 H LIG 1 3.490 -0.380 -2.716 0.00 0.00 +0.295 HD ENDBRANCH 37 39 ENDBRANCH 35 37 ENDBRANCH 23 35 ENDBRANCH 5 23 TORSDOF 7