REMARK Name = BDB051262 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.025 0.173 0.657 0.00 0.00 +0.095 A ATOM 2 N LIG 1 0.963 0.367 -0.291 0.00 0.00 -0.164 NA ATOM 3 N LIG 1 2.134 0.146 0.333 0.00 0.00 -0.215 N ATOM 4 C LIG 1 1.981 -0.182 1.655 0.00 0.00 +0.138 A ATOM 5 N LIG 1 3.063 -0.444 2.464 0.00 0.00 -0.307 N ATOM 6 H LIG 1 2.949 -0.686 3.440 0.00 0.00 +0.170 HD ATOM 7 C LIG 1 4.350 -0.384 1.963 0.00 0.00 +0.259 A ATOM 8 C LIG 1 4.512 -0.026 0.521 0.00 0.00 +0.065 A ATOM 9 C LIG 1 5.789 0.051 -0.042 0.00 0.00 +0.015 A ATOM 10 C LIG 1 5.934 0.386 -1.392 0.00 0.00 +0.001 A ATOM 11 C LIG 1 4.809 0.645 -2.181 0.00 0.00 +0.002 A ATOM 12 C LIG 1 3.529 0.572 -1.630 0.00 0.00 +0.028 A ATOM 13 O LIG 1 5.322 -0.615 2.674 0.00 0.00 -0.267 OA ATOM 14 C LIG 1 3.392 0.236 -0.281 0.00 0.00 +0.080 A ATOM 15 C LIG 1 0.633 -0.175 1.901 0.00 0.00 +0.076 A ENDROOT BRANCH 1 19 ATOM 16 C LIG 1 -4.157 0.627 -0.241 0.00 0.00 -0.048 A ATOM 17 C LIG 1 -3.185 0.901 -1.208 0.00 0.00 +0.004 A ATOM 18 C LIG 1 -1.827 0.752 -0.910 0.00 0.00 +0.010 A ATOM 19 C LIG 1 -1.407 0.323 0.358 0.00 0.00 +0.002 A ATOM 20 C LIG 1 -2.387 0.043 1.320 0.00 0.00 +0.010 A ATOM 21 C LIG 1 -3.747 0.191 1.023 0.00 0.00 +0.004 A BRANCH 16 23 ATOM 22 C LIG 1 -6.206 -0.520 -1.123 0.00 0.00 +0.009 C ATOM 23 C LIG 1 -5.622 0.770 -0.566 0.00 0.00 +0.032 C ENDBRANCH 16 23 ENDBRANCH 1 19 TORSDOF 2