REMARK Name = BDB023971 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.498 4.791 -1.338 0.00 0.00 +0.109 C ATOM 2 C LIG 1 -0.636 3.749 -0.672 0.00 0.00 +0.213 C ATOM 3 N LIG 1 -1.200 2.496 -0.451 0.00 0.00 -0.297 N ATOM 4 C LIG 1 -0.346 1.538 0.285 0.00 0.00 +0.148 C ATOM 5 C LIG 1 -0.923 0.162 0.266 0.00 0.00 +0.035 A ATOM 6 C LIG 1 -0.534 -1.053 0.883 0.00 0.00 +0.165 A ATOM 7 N LIG 1 -1.477 -2.002 0.770 0.00 0.00 -0.152 NA ATOM 8 N LIG 1 -2.419 -1.446 -0.017 0.00 0.00 -0.263 N ATOM 9 C LIG 1 -2.157 -0.136 -0.283 0.00 0.00 +0.048 A ATOM 10 C LIG 1 -3.025 0.847 -0.976 0.00 0.00 +0.074 C ATOM 11 C LIG 1 -2.657 2.255 -0.473 0.00 0.00 +0.114 C ATOM 12 O LIG 1 0.522 4.019 -0.354 0.00 0.00 -0.276 OA ENDROOT BRANCH 6 13 ATOM 13 N LIG 1 0.626 -1.365 1.664 0.00 0.00 -0.299 N ATOM 14 C LIG 1 1.923 -0.870 1.537 0.00 0.00 +0.056 A ATOM 15 C LIG 1 2.640 -1.274 2.670 0.00 0.00 +0.000 A ATOM 16 C LIG 1 3.969 -0.839 2.836 0.00 0.00 +0.010 A ATOM 17 C LIG 1 4.573 -0.062 1.841 0.00 0.00 +0.009 A ATOM 18 C LIG 1 3.888 0.260 0.668 0.00 0.00 -0.013 A ATOM 19 C LIG 1 1.803 -2.140 3.415 0.00 0.00 +0.028 A ATOM 20 C LIG 1 2.559 -0.159 0.500 0.00 0.00 +0.035 A ATOM 21 C LIG 1 0.617 -2.249 2.732 0.00 0.00 +0.094 A BRANCH 18 22 ATOM 22 C LIG 1 4.543 1.005 -0.392 0.00 0.00 +0.020 A ATOM 23 C LIG 1 5.416 2.056 -0.202 0.00 0.00 +0.116 A ATOM 24 N LIG 1 5.769 2.490 -1.447 0.00 0.00 -0.274 N ATOM 25 C LIG 1 6.648 3.588 -1.766 0.00 0.00 +0.172 C ATOM 26 N LIG 1 5.204 1.783 -2.443 0.00 0.00 -0.179 NA ATOM 27 C LIG 1 4.447 0.891 -1.798 0.00 0.00 +0.142 A ENDBRANCH 18 22 ENDBRANCH 6 13 BRANCH 8 28 ATOM 28 C LIG 1 -3.569 -2.242 -0.427 0.00 0.00 +0.112 C ATOM 29 C LIG 1 -3.160 -3.408 -1.341 0.00 0.00 +0.055 C ATOM 30 C LIG 1 -4.154 -4.558 -1.251 0.00 0.00 +0.162 C ATOM 31 O LIG 1 -5.461 -4.045 -1.016 0.00 0.00 -0.380 OA ATOM 32 C LIG 1 -5.608 -3.510 0.301 0.00 0.00 +0.162 C ATOM 33 C LIG 1 -4.378 -2.740 0.772 0.00 0.00 +0.055 C ENDBRANCH 8 28 TORSDOF 3