REMARK Name = BDB027906 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.322 0.434 0.716 0.00 0.00 +0.028 A ATOM 2 C LIG 1 -0.312 0.646 1.665 0.00 0.00 +0.023 A ATOM 3 C LIG 1 1.002 0.938 1.283 0.00 0.00 +0.007 A ATOM 4 C LIG 1 1.340 1.052 -0.069 0.00 0.00 -0.033 A ATOM 5 C LIG 1 0.331 0.886 -1.022 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -0.983 0.595 -0.631 0.00 0.00 +0.023 A ENDROOT BRANCH 1 7 ATOM 7 N LIG 1 -2.623 0.213 1.177 0.00 0.00 -0.333 N ATOM 8 H LIG 1 -2.612 -0.250 2.091 0.00 0.00 +0.147 HD BRANCH 7 15 ATOM 9 O LIG 1 -7.625 -1.021 -0.651 0.00 0.00 -0.275 OA ATOM 10 C LIG 1 -6.441 -0.833 -0.388 0.00 0.00 +0.219 C ATOM 11 N LIG 1 -5.829 -1.506 0.637 0.00 0.00 -0.255 N ATOM 12 H LIG 1 -6.432 -2.090 1.200 0.00 0.00 +0.158 HD ATOM 13 C LIG 1 -4.573 -1.276 1.146 0.00 0.00 +0.239 C ATOM 14 O LIG 1 -4.225 -1.784 2.213 0.00 0.00 -0.273 OA ATOM 15 C LIG 1 -3.643 -0.383 0.302 0.00 0.00 +0.158 C ATOM 16 C LIG 1 -4.483 0.720 -0.339 0.00 0.00 +0.041 C ATOM 17 C LIG 1 -5.573 0.100 -1.198 0.00 0.00 +0.098 C ENDBRANCH 7 15 ENDBRANCH 1 7 BRANCH 4 18 ATOM 18 C LIG 1 2.757 1.382 -0.486 0.00 0.00 +0.119 C BRANCH 18 19 ATOM 19 N LIG 1 3.751 0.418 0.014 0.00 0.00 -0.294 NA ATOM 20 C LIG 1 3.606 -0.903 -0.639 0.00 0.00 +0.113 C ATOM 21 C LIG 1 4.703 -1.876 -0.177 0.00 0.00 +0.175 C ATOM 22 O LIG 1 6.010 -1.352 -0.447 0.00 0.00 -0.377 OA ATOM 23 C LIG 1 6.179 -0.096 0.223 0.00 0.00 +0.175 C ATOM 24 C LIG 1 5.119 0.920 -0.232 0.00 0.00 +0.113 C ENDBRANCH 18 19 ENDBRANCH 4 18 TORSDOF 4