REMARK Name = BDB034013 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.861 0.245 1.064 0.00 0.00 +0.165 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 2.093 -2.187 1.354 0.00 0.00 +0.213 C ATOM 3 N LIG 1 1.662 -0.973 1.853 0.00 0.00 -0.304 N ATOM 4 H LIG 1 1.756 -0.858 2.857 0.00 0.00 +0.149 HD ATOM 5 O LIG 1 2.484 -2.339 0.203 0.00 0.00 -0.276 OA BRANCH 2 7 ATOM 6 C LIG 1 2.458 -4.639 1.811 0.00 0.00 +0.013 C ATOM 7 C LIG 1 2.023 -3.301 2.380 0.00 0.00 +0.092 C ENDBRANCH 2 7 ENDBRANCH 1 3 BRANCH 1 8 ATOM 8 C LIG 1 3.223 0.831 1.470 0.00 0.00 +0.234 C ATOM 9 N LIG 1 3.853 1.556 0.477 0.00 0.00 -0.313 N ATOM 10 H LIG 1 3.596 1.324 -0.476 0.00 0.00 +0.149 HD ATOM 11 O LIG 1 3.664 0.718 2.614 0.00 0.00 -0.274 OA BRANCH 9 12 ATOM 12 C LIG 1 5.200 2.061 0.679 0.00 0.00 +0.119 C BRANCH 12 13 ATOM 13 C LIG 1 5.524 3.212 -0.282 0.00 0.00 +0.096 C BRANCH 13 14 ATOM 14 N LIG 1 6.888 3.705 -0.111 0.00 0.00 -0.329 NA ATOM 15 H LIG 1 7.041 4.499 -0.733 0.00 0.00 +0.118 HD ATOM 16 H LIG 1 7.009 4.062 0.838 0.00 0.00 +0.118 HD ENDBRANCH 13 14 ENDBRANCH 12 13 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 17 ATOM 17 C LIG 1 0.790 1.301 1.347 0.00 0.00 +0.094 C BRANCH 17 18 ATOM 18 C LIG 1 -0.469 1.006 0.595 0.00 0.00 +0.082 A ATOM 19 S LIG 1 -1.767 0.174 1.346 0.00 0.00 -0.072 S ATOM 20 C LIG 1 -2.674 0.269 -0.114 0.00 0.00 +0.039 A ATOM 21 C LIG 1 -1.917 0.941 -1.074 0.00 0.00 +0.078 A ATOM 22 C LIG 1 -2.470 1.134 -2.354 0.00 0.00 +0.029 A ATOM 23 C LIG 1 -3.754 0.655 -2.640 0.00 0.00 +0.006 A ATOM 24 C LIG 1 -4.509 -0.018 -1.672 0.00 0.00 -0.044 A ATOM 25 C LIG 1 -3.965 -0.216 -0.389 0.00 0.00 +0.021 A ATOM 26 N LIG 1 -0.664 1.361 -0.657 0.00 0.00 -0.244 NA BRANCH 24 27 ATOM 27 C LIG 1 -5.899 -0.525 -2.024 0.00 0.00 +0.013 C ATOM 28 C LIG 1 -5.984 -2.050 -1.923 0.00 0.00 +0.012 C ATOM 29 C LIG 1 -6.975 0.141 -1.162 0.00 0.00 +0.012 C ENDBRANCH 24 27 ENDBRANCH 17 18 ENDBRANCH 1 17 TORSDOF 9