REMARK Name = BDB026717 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.482 0.278 0.301 0.00 0.00 +0.049 A ATOM 2 C LIG 1 0.899 -0.216 -0.943 0.00 0.00 +0.033 A ATOM 3 C LIG 1 2.263 -0.414 -1.197 0.00 0.00 -0.007 A ATOM 4 C LIG 1 2.754 -0.859 -2.539 0.00 0.00 +0.143 C ATOM 5 N LIG 1 4.113 -1.336 -2.506 0.00 0.00 -0.295 N ATOM 6 H LIG 1 4.521 -1.722 -3.346 0.00 0.00 +0.151 HD ATOM 7 C LIG 1 5.028 -0.928 -1.589 0.00 0.00 +0.304 C ATOM 8 N LIG 1 4.552 -0.315 -0.471 0.00 0.00 -0.269 N ATOM 9 H LIG 1 5.250 -0.080 0.221 0.00 0.00 +0.156 HD ATOM 10 O LIG 1 6.226 -1.133 -1.753 0.00 0.00 -0.252 OA ATOM 11 C LIG 1 3.197 -0.106 -0.208 0.00 0.00 +0.040 A ATOM 12 C LIG 1 2.793 0.401 1.025 0.00 0.00 +0.026 A ATOM 13 C LIG 1 1.433 0.594 1.281 0.00 0.00 +0.028 A ENDROOT BRANCH 1 15 ATOM 14 C LIG 1 -1.960 -0.375 0.267 0.00 0.00 +0.118 A ATOM 15 N LIG 1 -0.901 0.484 0.562 0.00 0.00 -0.296 N ATOM 16 C LIG 1 -1.454 1.609 1.167 0.00 0.00 +0.074 A ATOM 17 C LIG 1 -2.825 1.372 1.165 0.00 0.00 +0.090 A ATOM 18 C LIG 1 -3.703 2.330 1.696 0.00 0.00 +0.030 A ATOM 19 C LIG 1 -3.180 3.522 2.205 0.00 0.00 +0.002 A ATOM 20 C LIG 1 -1.808 3.763 2.173 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -0.919 2.819 1.646 0.00 0.00 +0.028 A ATOM 22 N LIG 1 -3.118 0.165 0.601 0.00 0.00 -0.232 NA BRANCH 14 24 ATOM 23 C LIG 1 -2.499 -2.763 0.742 0.00 0.00 +0.015 C ATOM 24 C LIG 1 -1.830 -1.791 -0.235 0.00 0.00 +0.049 C ATOM 25 C LIG 1 -2.458 -1.924 -1.623 0.00 0.00 +0.015 C ENDBRANCH 14 24 ENDBRANCH 1 15 TORSDOF 2