REMARK Name = BDB016007 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.502 -2.145 -0.382 0.00 0.00 +0.162 A ATOM 2 N LIG 1 1.245 -1.663 -0.383 0.00 0.00 -0.212 NA ATOM 3 C LIG 1 0.227 -2.541 -0.277 0.00 0.00 +0.131 A ATOM 4 C LIG 1 0.442 -3.916 -0.193 0.00 0.00 +0.043 A ATOM 5 C LIG 1 1.770 -4.302 -0.208 0.00 0.00 +0.125 A ATOM 6 N LIG 1 2.810 -3.450 -0.293 0.00 0.00 -0.235 NA ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 4.415 1.158 -0.474 0.00 0.00 -0.014 A ATOM 8 C LIG 1 3.373 0.217 -0.410 0.00 0.00 +0.020 A ATOM 9 C LIG 1 3.611 -1.173 -0.466 0.00 0.00 +0.020 A ATOM 10 C LIG 1 4.948 -1.591 -0.595 0.00 0.00 +0.011 A ATOM 11 C LIG 1 5.995 -0.671 -0.668 0.00 0.00 +0.001 A ATOM 12 C LIG 1 5.729 0.696 -0.607 0.00 0.00 +0.008 A BRANCH 7 17 ATOM 13 C LIG 1 4.772 6.040 0.374 0.00 0.00 +0.172 C ATOM 14 N LIG 1 4.294 4.735 -0.012 0.00 0.00 -0.274 N ATOM 15 N LIG 1 3.057 4.609 -0.522 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 2.952 3.299 -0.763 0.00 0.00 +0.142 A ATOM 17 C LIG 1 4.117 2.579 -0.405 0.00 0.00 +0.020 A ATOM 18 C LIG 1 4.967 3.551 0.084 0.00 0.00 +0.116 A ENDBRANCH 7 17 ENDBRANCH 1 9 BRANCH 4 19 ATOM 19 C LIG 1 -0.621 -4.899 -0.116 0.00 0.00 +0.024 A ATOM 20 C LIG 1 -0.610 -6.015 0.696 0.00 0.00 +0.116 A ATOM 21 N LIG 1 -1.792 -6.661 0.472 0.00 0.00 -0.274 N ATOM 22 C LIG 1 -2.246 -7.884 1.088 0.00 0.00 +0.172 C ATOM 23 N LIG 1 -2.577 -6.041 -0.425 0.00 0.00 -0.179 NA ATOM 24 C LIG 1 -1.859 -4.978 -0.793 0.00 0.00 +0.143 A ENDBRANCH 4 19 BRANCH 3 25 ATOM 25 N LIG 1 -1.091 -2.018 -0.279 0.00 0.00 -0.326 N ATOM 26 H LIG 1 -1.613 -2.445 0.484 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 -1.357 -0.618 -0.426 0.00 0.00 +0.073 C ATOM 28 C LIG 1 -1.128 0.202 0.865 0.00 0.00 +0.030 C ATOM 29 C LIG 1 -2.442 0.967 0.538 0.00 0.00 -0.010 C ATOM 30 C LIG 1 -2.326 2.261 -0.276 0.00 0.00 +0.116 C ATOM 31 N LIG 1 -3.520 3.078 0.101 0.00 0.00 -0.181 NA ATOM 32 C LIG 1 -4.351 2.276 1.035 0.00 0.00 +0.109 C ATOM 33 C LIG 1 -3.359 1.325 1.695 0.00 0.00 +0.025 C ATOM 34 C LIG 1 -2.862 -0.287 -0.291 0.00 0.00 +0.030 C BRANCH 31 35 ATOM 35 S LIG 1 -4.309 3.841 -1.188 0.00 0.00 +0.029 S ATOM 36 O LIG 1 -5.178 2.867 -1.813 0.00 0.00 -0.158 OA ATOM 37 O LIG 1 -3.310 4.553 -1.955 0.00 0.00 -0.158 OA ATOM 38 C LIG 1 -5.311 5.044 -0.341 0.00 0.00 +0.215 C ENDBRANCH 31 35 ENDBRANCH 25 27 ENDBRANCH 3 25 TORSDOF 6