REMARK Name = BDB050042 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.881 -0.178 0.172 0.00 0.00 +0.125 A ATOM 2 N LIG 1 2.123 -0.048 -0.423 0.00 0.00 -0.324 N ATOM 3 C LIG 1 2.449 -0.378 -1.795 0.00 0.00 +0.142 C ATOM 4 C LIG 1 3.844 -0.967 -1.942 0.00 0.00 +0.126 C ATOM 5 N LIG 1 4.885 0.031 -1.835 0.00 0.00 -0.310 N ATOM 6 H LIG 1 5.624 0.030 -2.531 0.00 0.00 +0.149 HD ATOM 7 C LIG 1 5.237 0.754 -0.726 0.00 0.00 +0.246 C ATOM 8 C LIG 1 4.370 0.802 0.474 0.00 0.00 +0.062 A ATOM 9 C LIG 1 4.927 1.284 1.677 0.00 0.00 +0.015 A ATOM 10 C LIG 1 4.177 1.385 2.848 0.00 0.00 +0.003 A ATOM 11 C LIG 1 2.831 1.016 2.854 0.00 0.00 +0.030 A ATOM 12 C LIG 1 2.250 0.547 1.667 0.00 0.00 +0.090 A ATOM 13 O LIG 1 6.303 1.365 -0.743 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 3.013 0.441 0.507 0.00 0.00 +0.081 A ATOM 15 N LIG 1 0.960 0.153 1.447 0.00 0.00 -0.231 NA ENDROOT BRANCH 1 16 ATOM 16 C LIG 1 -0.347 -0.638 -0.581 0.00 0.00 +0.158 C BRANCH 16 18 ATOM 17 C LIG 1 -1.773 -1.414 1.220 0.00 0.00 +0.105 C ATOM 18 N LIG 1 -1.625 -0.442 0.130 0.00 0.00 -0.294 NA BRANCH 18 19 ATOM 19 C LIG 1 -2.751 -0.547 -0.816 0.00 0.00 +0.119 C BRANCH 19 20 ATOM 20 C LIG 1 -4.081 -0.103 -0.244 0.00 0.00 -0.033 A ATOM 21 C LIG 1 -5.218 -0.915 -0.368 0.00 0.00 +0.005 A ATOM 22 C LIG 1 -6.450 -0.493 0.136 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -6.560 0.747 0.764 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -5.440 1.566 0.888 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -4.209 1.146 0.384 0.00 0.00 +0.005 A ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 16 18 ENDBRANCH 1 16 TORSDOF 4