REMARK Name = BDB015628 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.138 -1.876 0.578 0.00 0.00 +0.241 A ATOM 2 N LIG 1 1.256 -0.594 0.279 0.00 0.00 -0.193 NA ATOM 3 C LIG 1 0.094 0.030 0.100 0.00 0.00 +0.170 A ATOM 4 N LIG 1 -1.099 -0.534 0.276 0.00 0.00 -0.175 NA ATOM 5 C LIG 1 -1.068 -1.820 0.623 0.00 0.00 +0.328 A ATOM 6 N LIG 1 0.027 -2.538 0.835 0.00 0.00 -0.160 NA ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 0.142 1.462 -0.303 0.00 0.00 +0.036 A ATOM 8 C LIG 1 -0.999 2.177 -0.377 0.00 0.00 +0.100 A ATOM 9 N LIG 1 -1.019 3.518 -0.741 0.00 0.00 -0.318 N ATOM 10 C LIG 1 -2.302 4.202 -0.788 0.00 0.00 +0.152 C ATOM 11 C LIG 1 0.138 4.224 -1.054 0.00 0.00 +0.251 A ATOM 12 O LIG 1 0.183 5.409 -1.371 0.00 0.00 -0.268 OA ATOM 13 C LIG 1 1.400 3.444 -0.990 0.00 0.00 +0.071 A ATOM 14 C LIG 1 1.383 2.152 -0.637 0.00 0.00 +0.018 A ENDBRANCH 3 7 BRANCH 1 15 ATOM 15 N LIG 1 2.291 -2.580 0.934 0.00 0.00 -0.188 N ATOM 16 H LIG 1 2.078 -3.551 1.149 0.00 0.00 +0.176 HD BRANCH 15 17 ATOM 17 S LIG 1 3.586 -2.462 -0.109 0.00 0.00 +0.045 S ATOM 18 O LIG 1 3.122 -2.156 -1.444 0.00 0.00 -0.155 OA ATOM 19 O LIG 1 4.378 -3.649 0.141 0.00 0.00 -0.155 OA BRANCH 17 20 ATOM 20 C LIG 1 4.487 -1.064 0.560 0.00 0.00 +0.188 C BRANCH 20 22 ATOM 21 C LIG 1 6.543 0.366 0.347 0.00 0.00 +0.005 C ATOM 22 C LIG 1 5.780 -0.824 -0.210 0.00 0.00 +0.021 C ENDBRANCH 20 22 ENDBRANCH 17 20 ENDBRANCH 15 17 ENDBRANCH 1 15 BRANCH 5 23 ATOM 23 O LIG 1 -2.261 -2.482 0.892 0.00 0.00 -0.420 OA BRANCH 23 24 ATOM 24 C LIG 1 -3.394 -1.937 0.334 0.00 0.00 +0.170 A ATOM 25 C LIG 1 -3.562 -1.912 -1.054 0.00 0.00 +0.166 A ATOM 26 F LIG 1 -2.607 -2.398 -1.859 0.00 0.00 -0.202 F ATOM 27 C LIG 1 -4.719 -1.389 -1.620 0.00 0.00 +0.042 A ATOM 28 C LIG 1 -5.726 -0.897 -0.791 0.00 0.00 +0.003 A ATOM 29 C LIG 1 -5.575 -0.939 0.598 0.00 0.00 +0.007 A ATOM 30 C LIG 1 -4.412 -1.469 1.178 0.00 0.00 -0.005 A ATOM 31 C LIG 1 -4.259 -1.511 2.671 0.00 0.00 +0.047 C ENDBRANCH 23 24 ENDBRANCH 5 23 TORSDOF 7