REMARK Name = BDB013832 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.121 -0.121 -0.283 0.00 0.00 -0.338 N ATOM 2 H LIG 1 -0.931 -0.217 0.723 0.00 0.00 +0.146 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 -2.470 -0.380 -0.569 0.00 0.00 +0.060 A ATOM 4 C LIG 1 -3.481 -0.137 0.378 0.00 0.00 +0.082 A ATOM 5 C LIG 1 -4.834 -0.341 0.081 0.00 0.00 +0.036 A ATOM 6 C LIG 1 -5.159 -0.739 -1.198 0.00 0.00 +0.111 A ATOM 7 N LIG 1 -4.243 -0.923 -2.167 0.00 0.00 -0.261 NA ATOM 8 C LIG 1 -2.940 -0.733 -1.834 0.00 0.00 +0.134 A BRANCH 4 9 ATOM 9 C LIG 1 -3.124 0.288 1.748 0.00 0.00 +0.339 C ATOM 10 O LIG 1 -2.265 -0.264 2.413 0.00 0.00 -0.245 OA BRANCH 9 11 ATOM 11 O LIG 1 -3.835 1.357 2.167 0.00 0.00 -0.477 OA ATOM 12 H LIG 1 -4.331 1.809 1.458 0.00 0.00 +0.295 HD ENDBRANCH 9 11 ENDBRANCH 4 9 ENDBRANCH 1 3 BRANCH 1 13 ATOM 13 C LIG 1 -0.090 -0.788 -1.072 0.00 0.00 +0.137 C BRANCH 13 17 ATOM 14 C LIG 1 3.781 0.104 0.647 0.00 0.00 +0.120 A ATOM 15 C LIG 1 3.198 -1.153 0.827 0.00 0.00 +0.046 A ATOM 16 C LIG 1 1.949 -1.447 0.275 0.00 0.00 +0.009 A ATOM 17 C LIG 1 1.265 -0.485 -0.478 0.00 0.00 -0.030 A ATOM 18 C LIG 1 1.849 0.778 -0.648 0.00 0.00 +0.009 A ATOM 19 C LIG 1 3.100 1.070 -0.092 0.00 0.00 +0.046 A BRANCH 14 21 ATOM 20 C LIG 1 5.617 1.534 1.125 0.00 0.00 +0.277 C ATOM 21 O LIG 1 5.004 0.257 1.240 0.00 0.00 -0.495 OA ENDBRANCH 14 21 ENDBRANCH 13 17 ENDBRANCH 1 13 TORSDOF 6