REMARK Name = BDB031037 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.183 0.593 0.537 0.00 0.00 +0.221 A ATOM 2 N LIG 1 2.474 0.210 0.503 0.00 0.00 -0.211 NA ATOM 3 C LIG 1 3.430 1.176 0.457 0.00 0.00 +0.111 A ATOM 4 C LIG 1 3.098 2.516 0.478 0.00 0.00 +0.167 A ATOM 5 F LIG 1 4.010 3.497 0.460 0.00 0.00 -0.202 F ATOM 6 C LIG 1 1.762 2.812 0.547 0.00 0.00 +0.155 A ATOM 7 N LIG 1 0.796 1.876 0.589 0.00 0.00 -0.220 NA ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 4.823 0.678 0.396 0.00 0.00 +0.005 A ATOM 9 C LIG 1 5.822 1.358 -0.329 0.00 0.00 +0.027 A ATOM 10 C LIG 1 7.133 0.843 -0.361 0.00 0.00 +0.041 A ATOM 11 C LIG 1 7.482 -0.327 0.302 0.00 0.00 +0.080 A ATOM 12 N LIG 1 8.806 -0.704 0.180 0.00 0.00 -0.225 NA ATOM 13 C LIG 1 9.484 0.149 -0.560 0.00 0.00 +0.161 A ATOM 14 C LIG 1 6.489 -1.015 1.020 0.00 0.00 +0.029 A ATOM 15 S LIG 1 8.521 1.462 -1.156 0.00 0.00 -0.052 S ATOM 16 C LIG 1 5.182 -0.509 1.056 0.00 0.00 +0.012 A BRANCH 13 17 ATOM 17 N LIG 1 10.816 -0.006 -0.848 0.00 0.00 -0.316 N ATOM 18 C LIG 1 11.621 1.153 -1.208 0.00 0.00 +0.131 C ATOM 19 C LIG 1 11.514 -1.060 -0.119 0.00 0.00 +0.131 C ENDBRANCH 13 17 ENDBRANCH 3 8 BRANCH 1 20 ATOM 20 N LIG 1 0.259 -0.448 0.598 0.00 0.00 -0.268 N ATOM 21 H LIG 1 0.774 -1.306 0.460 0.00 0.00 +0.156 HD BRANCH 20 25 ATOM 22 C LIG 1 -3.513 -0.626 -1.171 0.00 0.00 +0.055 A ATOM 23 C LIG 1 -2.606 0.376 -1.469 0.00 0.00 +0.126 A ATOM 24 N LIG 1 -1.376 0.468 -0.905 0.00 0.00 -0.239 NA ATOM 25 C LIG 1 -1.000 -0.483 -0.024 0.00 0.00 +0.125 A ATOM 26 C LIG 1 -1.851 -1.546 0.296 0.00 0.00 +0.044 A ATOM 27 C LIG 1 -3.118 -1.623 -0.285 0.00 0.00 +0.018 A BRANCH 22 32 ATOM 28 N LIG 1 -8.580 -0.832 0.388 0.00 0.00 -0.300 NA ATOM 29 C LIG 1 -8.349 -1.529 -0.898 0.00 0.00 +0.103 C ATOM 30 C LIG 1 -7.253 -0.917 -1.788 0.00 0.00 +0.123 C ATOM 31 N LIG 1 -5.975 -0.803 -1.086 0.00 0.00 -0.295 N ATOM 32 C LIG 1 -4.823 -0.635 -1.845 0.00 0.00 +0.248 C ATOM 33 O LIG 1 -4.836 -0.497 -3.066 0.00 0.00 -0.270 OA ATOM 34 C LIG 1 -6.061 -0.616 0.369 0.00 0.00 +0.123 C ATOM 35 C LIG 1 -7.416 -0.014 0.791 0.00 0.00 +0.103 C BRANCH 28 37 ATOM 36 C LIG 1 -10.202 0.529 1.718 0.00 0.00 +0.020 C ATOM 37 C LIG 1 -9.825 -0.051 0.359 0.00 0.00 +0.081 C ENDBRANCH 28 37 ENDBRANCH 22 32 ENDBRANCH 20 25 ENDBRANCH 1 20 TORSDOF 6