REMARK Name = BDB013737 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.452 -0.831 1.414 0.00 0.00 -0.323 N ATOM 2 H LIG 1 0.770 -1.734 1.101 0.00 0.00 +0.148 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 1.211 0.253 1.062 0.00 0.00 +0.149 A ATOM 4 C LIG 1 2.462 -0.090 0.414 0.00 0.00 +0.046 A ATOM 5 C LIG 1 3.269 0.933 -0.027 0.00 0.00 +0.117 A ATOM 6 N LIG 1 4.379 0.400 -0.618 0.00 0.00 -0.356 N ATOM 7 H LIG 1 5.129 0.944 -1.028 0.00 0.00 +0.165 HD ATOM 8 C LIG 1 4.303 -0.969 -0.552 0.00 0.00 +0.084 A ATOM 9 C LIG 1 2.945 2.321 0.133 0.00 0.00 +0.291 A ATOM 10 O LIG 1 3.663 3.219 -0.299 0.00 0.00 -0.264 OA ATOM 11 N LIG 1 1.744 2.525 0.832 0.00 0.00 -0.229 N ATOM 12 C LIG 1 1.247 3.870 1.024 0.00 0.00 +0.176 C ATOM 13 C LIG 1 3.124 -1.302 0.085 0.00 0.00 +0.031 A ATOM 14 N LIG 1 0.892 1.500 1.261 0.00 0.00 -0.153 NA ENDBRANCH 1 3 BRANCH 1 16 ATOM 15 C LIG 1 -1.360 -1.708 2.773 0.00 0.00 +0.030 C ATOM 16 C LIG 1 -0.987 -0.726 1.660 0.00 0.00 +0.090 C BRANCH 16 17 ATOM 17 C LIG 1 -1.886 -0.896 0.368 0.00 0.00 +0.106 C BRANCH 17 18 ATOM 18 C LIG 1 -1.702 0.281 -0.608 0.00 0.00 -0.029 A ATOM 19 C LIG 1 -0.959 0.187 -1.794 0.00 0.00 +0.005 A ATOM 20 C LIG 1 -0.796 1.294 -2.632 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -1.376 2.515 -2.303 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -2.122 2.631 -1.134 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -2.283 1.526 -0.295 0.00 0.00 +0.005 A ENDBRANCH 17 18 BRANCH 17 24 ATOM 24 N LIG 1 -1.976 -2.200 -0.349 0.00 0.00 -0.300 NA ATOM 25 C LIG 1 -0.773 -3.008 -0.440 0.00 0.00 +0.105 C ATOM 26 C LIG 1 -3.118 -3.006 0.075 0.00 0.00 +0.105 C ENDBRANCH 17 24 ENDBRANCH 16 17 ENDBRANCH 1 16 TORSDOF 5