REMARK Name = BDB025186 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.945 -0.806 1.264 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.192 -0.188 0.249 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.815 0.853 -0.606 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.860 0.243 -1.557 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.831 1.660 -1.468 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.558 1.945 -0.705 0.00 0.00 +0.041 C ATOM 7 C LIG 1 1.946 0.623 -0.344 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.555 0.401 -0.424 0.00 0.00 +0.096 A ATOM 9 N LIG 1 -0.428 1.259 -0.826 0.00 0.00 -0.211 NA ATOM 10 C LIG 1 -1.576 0.604 -0.713 0.00 0.00 +0.258 A ATOM 11 N LIG 1 -1.355 -0.686 -0.264 0.00 0.00 -0.306 N ATOM 12 C LIG 1 0.013 -0.821 -0.056 0.00 0.00 +0.071 A ATOM 13 C LIG 1 0.812 -1.866 0.416 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.192 -1.637 0.502 0.00 0.00 +0.026 A ATOM 15 C LIG 1 2.775 -0.415 0.138 0.00 0.00 +0.045 A ATOM 16 O LIG 1 4.538 -1.643 2.063 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -2.311 -1.751 0.047 0.00 0.00 +0.091 C ATOM 18 C LIG 1 -2.921 -1.590 1.451 0.00 0.00 +0.040 C ATOM 19 C LIG 1 -3.806 -2.780 1.863 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -4.483 -3.494 0.687 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -4.670 -2.572 -0.510 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -3.326 -2.094 -1.058 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -3.053 -3.790 2.701 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -3.490 -4.373 3.678 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -1.819 -4.067 2.241 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -1.481 -4.739 2.872 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 10 27 ATOM 27 S LIG 1 -3.126 1.365 -1.139 0.00 0.00 +0.058 S ATOM 28 O LIG 1 -3.321 1.097 -2.551 0.00 0.00 -0.161 OA ATOM 29 O LIG 1 -4.085 0.913 -0.149 0.00 0.00 -0.161 OA BRANCH 27 30 ATOM 30 C LIG 1 -2.902 3.113 -0.934 0.00 0.00 +0.097 A ATOM 31 C LIG 1 -3.408 3.753 0.202 0.00 0.00 +0.027 A ATOM 32 C LIG 1 -3.250 5.132 0.339 0.00 0.00 +0.002 A ATOM 33 C LIG 1 -2.600 5.864 -0.657 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -2.108 5.222 -1.794 0.00 0.00 +0.002 A ATOM 35 C LIG 1 -2.262 3.844 -1.939 0.00 0.00 +0.027 A ENDBRANCH 27 30 ENDBRANCH 10 27 BRANCH 1 37 ATOM 36 C LIG 1 7.031 -0.913 2.348 0.00 0.00 +0.282 C ATOM 37 O LIG 1 6.229 -0.338 1.316 0.00 0.00 -0.453 OA ENDBRANCH 1 37 TORSDOF 6