REMARK Name = BDB026638 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.771 -1.603 1.635 0.00 0.00 -0.268 OA ATOM 2 C LIG 1 -1.130 -0.863 0.725 0.00 0.00 +0.268 C ATOM 3 N LIG 1 -0.291 -0.013 0.015 0.00 0.00 -0.280 N ATOM 4 H LIG 1 -0.734 0.594 -0.657 0.00 0.00 +0.155 HD ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 -2.544 -0.801 0.298 0.00 0.00 +0.144 A ATOM 6 N LIG 1 -3.567 -1.389 1.033 0.00 0.00 -0.228 NA ATOM 7 C LIG 1 -4.682 -1.162 0.376 0.00 0.00 +0.111 A ATOM 8 C LIG 1 -6.062 -1.560 0.773 0.00 0.00 +0.074 C ATOM 9 C LIG 1 -7.034 -1.493 -0.407 0.00 0.00 +0.009 C ATOM 10 C LIG 1 -6.853 -0.190 -1.190 0.00 0.00 +0.022 C ATOM 11 C LIG 1 -5.432 -0.082 -1.743 0.00 0.00 +0.123 C ATOM 12 N LIG 1 -4.429 -0.446 -0.763 0.00 0.00 -0.334 N ATOM 13 C LIG 1 -3.086 -0.209 -0.834 0.00 0.00 +0.120 A ENDBRANCH 2 5 BRANCH 3 14 ATOM 14 C LIG 1 1.103 0.144 0.157 0.00 0.00 +0.034 A ATOM 15 C LIG 1 1.720 1.110 -0.646 0.00 0.00 +0.024 A ATOM 16 C LIG 1 3.101 1.330 -0.571 0.00 0.00 +0.010 A ATOM 17 C LIG 1 3.904 0.591 0.310 0.00 0.00 -0.018 A ATOM 18 C LIG 1 3.275 -0.375 1.108 0.00 0.00 +0.010 A ATOM 19 C LIG 1 1.893 -0.598 1.032 0.00 0.00 +0.024 A BRANCH 17 20 ATOM 20 C LIG 1 5.355 0.823 0.395 0.00 0.00 -0.018 A ATOM 21 C LIG 1 5.974 1.087 1.628 0.00 0.00 +0.008 A ATOM 22 C LIG 1 7.352 1.308 1.710 0.00 0.00 +0.001 A ATOM 23 C LIG 1 8.134 1.269 0.559 0.00 0.00 +0.000 A ATOM 24 C LIG 1 7.541 1.008 -0.673 0.00 0.00 +0.001 A ATOM 25 C LIG 1 6.163 0.787 -0.754 0.00 0.00 +0.008 A ENDBRANCH 17 20 ENDBRANCH 3 14 TORSDOF 3