REMARK Name = BDB059155 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.634 -0.105 0.331 0.00 0.00 -0.284 N ATOM 2 H LIG 1 0.640 -1.037 0.719 0.00 0.00 +0.155 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 -0.683 0.256 0.066 0.00 0.00 +0.220 A ATOM 4 N LIG 1 -1.594 -0.685 0.372 0.00 0.00 -0.219 NA ATOM 5 C LIG 1 -2.897 -0.407 0.145 0.00 0.00 +0.050 A ATOM 6 C LIG 1 -3.880 -1.503 0.468 0.00 0.00 +0.056 C ATOM 7 C LIG 1 -5.318 -1.000 0.587 0.00 0.00 +0.006 C ATOM 8 C LIG 1 -5.667 -0.103 -0.597 0.00 0.00 +0.005 C ATOM 9 C LIG 1 -4.759 1.126 -0.629 0.00 0.00 +0.038 C ATOM 10 C LIG 1 -3.317 0.789 -0.404 0.00 0.00 -0.008 A ATOM 11 C LIG 1 -2.312 1.690 -0.674 0.00 0.00 +0.119 A ATOM 12 N LIG 1 -1.007 1.447 -0.454 0.00 0.00 -0.222 NA ENDBRANCH 1 3 BRANCH 1 15 ATOM 13 C LIG 1 4.311 0.406 0.457 0.00 0.00 -0.046 A ATOM 14 C LIG 1 3.032 -0.164 0.569 0.00 0.00 +0.027 A ATOM 15 C LIG 1 1.871 0.531 0.187 0.00 0.00 +0.034 A ATOM 16 C LIG 1 2.029 1.823 -0.321 0.00 0.00 +0.023 A ATOM 17 C LIG 1 3.295 2.403 -0.446 0.00 0.00 +0.002 A ATOM 18 C LIG 1 4.432 1.698 -0.061 0.00 0.00 +0.004 A BRANCH 13 20 ATOM 19 C LIG 1 6.080 -1.207 -0.292 0.00 0.00 +0.009 C ATOM 20 C LIG 1 5.535 -0.375 0.860 0.00 0.00 +0.032 C ENDBRANCH 13 20 ENDBRANCH 1 15 TORSDOF 3