REMARK Name = BDB051221 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.298 1.033 0.205 0.00 0.00 +0.136 A ATOM 2 C LIG 1 -0.361 2.245 0.489 0.00 0.00 +0.041 A ATOM 3 C LIG 1 -1.753 2.153 0.600 0.00 0.00 +0.077 A ATOM 4 C LIG 1 -2.481 3.307 0.867 0.00 0.00 +0.028 A ATOM 5 C LIG 1 -1.864 4.549 1.038 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -0.483 4.648 0.947 0.00 0.00 +0.001 A ATOM 7 N LIG 1 -2.419 1.004 0.464 0.00 0.00 -0.227 NA ATOM 8 C LIG 1 -1.704 -0.105 0.223 0.00 0.00 +0.162 A ATOM 9 C LIG 1 0.267 3.506 0.677 0.00 0.00 +0.013 A ATOM 10 N LIG 1 -0.367 -0.137 0.107 0.00 0.00 -0.212 NA ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 -2.435 -1.377 0.076 0.00 0.00 +0.022 A ATOM 12 C LIG 1 -1.801 -2.545 -0.375 0.00 0.00 +0.031 A ATOM 13 C LIG 1 -2.532 -3.716 -0.494 0.00 0.00 +0.111 A ATOM 14 N LIG 1 -3.844 -3.814 -0.201 0.00 0.00 -0.263 NA ATOM 15 C LIG 1 -4.450 -2.690 0.228 0.00 0.00 +0.111 A ATOM 16 C LIG 1 -3.802 -1.474 0.379 0.00 0.00 +0.031 A ENDBRANCH 8 11 BRANCH 1 17 ATOM 17 N LIG 1 1.715 1.024 0.068 0.00 0.00 -0.284 N ATOM 18 H LIG 1 2.038 1.833 -0.454 0.00 0.00 +0.155 HD BRANCH 17 24 ATOM 19 C LIG 1 5.321 -2.377 -0.452 0.00 0.00 +0.067 C ATOM 20 C LIG 1 4.065 -1.640 -0.178 0.00 0.00 +0.062 A ATOM 21 N LIG 1 3.004 -2.283 0.325 0.00 0.00 -0.178 NA ATOM 22 N LIG 1 2.076 -1.317 0.446 0.00 0.00 -0.264 N ATOM 23 H LIG 1 1.152 -1.548 0.795 0.00 0.00 +0.190 HD ATOM 24 C LIG 1 2.497 -0.084 0.026 0.00 0.00 +0.120 A ATOM 25 C LIG 1 3.798 -0.263 -0.381 0.00 0.00 +0.068 A ENDBRANCH 17 24 ENDBRANCH 1 17 TORSDOF 3