REMARK Name = BDB032902 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.253 -0.606 -1.182 0.00 0.00 -0.261 N ATOM 2 H LIG 1 0.457 -0.829 -0.217 0.00 0.00 +0.157 HD ATOM 3 C LIG 1 -0.913 0.046 -1.506 0.00 0.00 +0.253 C ATOM 4 O LIG 1 -1.266 0.367 -2.635 0.00 0.00 -0.270 OA ENDROOT BRANCH 3 5 ATOM 5 C LIG 1 -1.825 0.371 -0.358 0.00 0.00 +0.079 A ATOM 6 C LIG 1 -1.457 0.300 0.995 0.00 0.00 +0.133 A ATOM 7 C LIG 1 -2.383 0.598 2.004 0.00 0.00 +0.046 A ATOM 8 C LIG 1 -3.674 1.003 1.672 0.00 0.00 +0.004 A ATOM 9 C LIG 1 -4.047 1.103 0.334 0.00 0.00 +0.001 A ATOM 10 C LIG 1 -3.130 0.788 -0.672 0.00 0.00 +0.017 A BRANCH 6 11 ATOM 11 O LIG 1 -0.197 -0.111 1.359 0.00 0.00 -0.488 OA BRANCH 11 12 ATOM 12 C LIG 1 0.550 0.928 2.031 0.00 0.00 +0.174 C ATOM 13 C LIG 1 1.962 0.550 2.392 0.00 0.00 +0.048 C ATOM 14 C LIG 1 0.917 0.657 3.464 0.00 0.00 +0.048 C ENDBRANCH 11 12 ENDBRANCH 6 11 ENDBRANCH 3 5 BRANCH 1 17 ATOM 15 C LIG 1 3.225 -1.863 -2.998 0.00 0.00 +0.166 A ATOM 16 S LIG 1 2.560 -1.735 -1.433 0.00 0.00 -0.030 S ATOM 17 C LIG 1 1.193 -0.960 -2.107 0.00 0.00 +0.167 A ATOM 18 N LIG 1 1.197 -0.789 -3.405 0.00 0.00 -0.231 NA ATOM 19 C LIG 1 2.369 -1.312 -3.924 0.00 0.00 +0.152 A BRANCH 15 21 ATOM 20 O LIG 1 5.173 -2.906 -2.407 0.00 0.00 -0.143 OA ATOM 21 N LIG 1 4.517 -2.465 -3.357 0.00 0.00 -0.022 NA ENDBRANCH 15 21 ENDBRANCH 1 17 TORSDOF 5