REMARK Name = BDB056591 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.172 1.972 0.170 0.00 0.00 +0.064 A ATOM 2 N LIG 1 -2.673 0.696 -0.119 0.00 0.00 -0.245 N ATOM 3 C LIG 1 -3.422 -0.404 -0.597 0.00 0.00 +0.421 C ATOM 4 O LIG 1 -4.507 -0.257 -1.133 0.00 0.00 -0.223 OA ATOM 5 C LIG 1 -1.279 0.734 0.087 0.00 0.00 +0.065 A ATOM 6 C LIG 1 -0.918 2.052 0.368 0.00 0.00 +0.019 A ATOM 7 C LIG 1 0.429 2.366 0.573 0.00 0.00 +0.123 A ATOM 8 N LIG 1 1.385 1.411 0.497 0.00 0.00 -0.239 NA ATOM 9 C LIG 1 1.050 0.138 0.224 0.00 0.00 +0.125 A ATOM 10 C LIG 1 -0.274 -0.247 -0.004 0.00 0.00 +0.070 A ATOM 11 C LIG 1 -2.102 2.816 0.386 0.00 0.00 +0.038 A ENDROOT BRANCH 1 16 ATOM 12 C LIG 1 -7.217 4.951 0.834 0.00 0.00 +0.172 C ATOM 13 N LIG 1 -6.375 3.799 0.624 0.00 0.00 -0.274 N ATOM 14 N LIG 1 -6.935 2.585 0.511 0.00 0.00 -0.179 NA ATOM 15 C LIG 1 -5.888 1.774 0.316 0.00 0.00 +0.144 A ATOM 16 C LIG 1 -4.658 2.464 0.315 0.00 0.00 +0.036 A ATOM 17 C LIG 1 -5.014 3.779 0.532 0.00 0.00 +0.118 A ENDBRANCH 1 16 BRANCH 9 18 ATOM 18 N LIG 1 2.038 -0.871 0.127 0.00 0.00 -0.298 N ATOM 19 H LIG 1 1.750 -1.687 0.662 0.00 0.00 +0.154 HD BRANCH 18 20 ATOM 20 C LIG 1 3.447 -0.731 0.157 0.00 0.00 +0.051 A ATOM 21 C LIG 1 4.256 -1.785 0.620 0.00 0.00 +0.063 A ATOM 22 CL LIG 1 3.538 -3.235 1.242 0.00 0.00 -0.082 Cl ATOM 23 C LIG 1 5.654 -1.696 0.608 0.00 0.00 +0.030 A ATOM 24 C LIG 1 6.299 -0.552 0.114 0.00 0.00 -0.013 A ATOM 25 C LIG 1 5.493 0.487 -0.375 0.00 0.00 +0.010 A ATOM 26 C LIG 1 4.095 0.394 -0.363 0.00 0.00 +0.025 A BRANCH 24 27 ATOM 27 C LIG 1 7.762 -0.448 0.101 0.00 0.00 +0.018 A ATOM 28 C LIG 1 8.593 -1.450 -0.375 0.00 0.00 +0.122 A ATOM 29 N LIG 1 9.943 -1.386 -0.397 0.00 0.00 -0.243 NA ATOM 30 C LIG 1 10.476 -0.253 0.081 0.00 0.00 +0.221 A ATOM 31 N LIG 1 9.793 0.793 0.568 0.00 0.00 -0.243 NA ATOM 32 C LIG 1 8.448 0.663 0.566 0.00 0.00 +0.122 A ENDBRANCH 24 27 ENDBRANCH 18 20 ENDBRANCH 9 18 BRANCH 3 33 ATOM 33 O LIG 1 -2.769 -1.571 -0.377 0.00 0.00 -0.442 OA BRANCH 33 34 ATOM 34 C LIG 1 -3.362 -2.832 -0.781 0.00 0.00 +0.107 C ATOM 35 C LIG 1 -3.539 -2.900 -2.302 0.00 0.00 +0.055 C ATOM 36 C LIG 1 -4.677 -3.092 -0.038 0.00 0.00 +0.055 C ATOM 37 C LIG 1 -2.340 -3.898 -0.358 0.00 0.00 +0.055 C ENDBRANCH 33 34 ENDBRANCH 3 33 TORSDOF 6