REMARK Name = BDB054835 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.834 -0.438 0.387 0.00 0.00 +0.241 C ATOM 2 N LIG 1 -0.298 -0.668 1.666 0.00 0.00 -0.288 N ATOM 3 C LIG 1 1.093 -0.265 1.888 0.00 0.00 +0.162 C ATOM 4 C LIG 1 1.867 -1.501 1.443 0.00 0.00 +0.033 C ATOM 5 C LIG 1 0.935 -2.666 1.823 0.00 0.00 +0.021 C ATOM 6 C LIG 1 -0.408 -2.019 2.189 0.00 0.00 +0.109 C ATOM 7 O LIG 1 -0.153 0.017 -0.538 0.00 0.00 -0.273 OA ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 1.491 1.150 1.389 0.00 0.00 +0.238 C ATOM 9 N LIG 1 2.777 1.230 0.884 0.00 0.00 -0.276 N ATOM 10 H LIG 1 3.320 0.381 0.793 0.00 0.00 +0.155 HD ATOM 11 O LIG 1 0.722 2.098 1.542 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 3.376 2.367 0.361 0.00 0.00 +0.120 A ATOM 13 C LIG 1 4.644 2.518 -0.187 0.00 0.00 +0.123 A ATOM 14 N LIG 1 4.925 3.783 -0.687 0.00 0.00 -0.139 NA ATOM 15 N LIG 1 3.916 4.616 -0.499 0.00 0.00 -0.108 NA ATOM 16 S LIG 1 2.610 3.891 0.255 0.00 0.00 +0.052 S BRANCH 13 17 ATOM 17 C LIG 1 5.624 1.452 -0.283 0.00 0.00 +0.005 A ATOM 18 C LIG 1 6.080 0.788 0.865 0.00 0.00 +0.010 A ATOM 19 C LIG 1 7.013 -0.244 0.755 0.00 0.00 +0.001 A ATOM 20 C LIG 1 7.499 -0.614 -0.499 0.00 0.00 +0.000 A ATOM 21 C LIG 1 7.062 0.053 -1.643 0.00 0.00 +0.001 A ATOM 22 C LIG 1 6.130 1.087 -1.536 0.00 0.00 +0.010 A ENDBRANCH 13 17 ENDBRANCH 9 12 ENDBRANCH 3 8 BRANCH 1 23 ATOM 23 C LIG 1 -2.342 -0.748 0.204 0.00 0.00 +0.190 C BRANCH 23 24 ATOM 24 C LIG 1 -2.610 -2.091 -0.459 0.00 0.00 -0.018 A ATOM 25 C LIG 1 -1.819 -2.582 -1.510 0.00 0.00 +0.006 A ATOM 26 C LIG 1 -2.104 -3.817 -2.099 0.00 0.00 +0.000 A ATOM 27 C LIG 1 -3.191 -4.569 -1.657 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -4.000 -4.084 -0.632 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -3.716 -2.852 -0.042 0.00 0.00 +0.006 A ENDBRANCH 23 24 BRANCH 23 31 ATOM 30 C LIG 1 -4.141 0.849 -0.394 0.00 0.00 +0.231 C ATOM 31 N LIG 1 -2.895 0.320 -0.617 0.00 0.00 -0.299 N ATOM 32 H LIG 1 -2.300 0.670 -1.358 0.00 0.00 +0.150 HD ATOM 33 O LIG 1 -4.891 0.412 0.480 0.00 0.00 -0.274 OA BRANCH 30 34 ATOM 34 C LIG 1 -4.560 1.979 -1.374 0.00 0.00 +0.137 C ATOM 35 C LIG 1 -3.505 3.078 -1.503 0.00 0.00 +0.034 C BRANCH 34 37 ATOM 36 C LIG 1 -5.912 3.398 0.128 0.00 0.00 +0.101 C ATOM 37 N LIG 1 -5.906 2.499 -1.022 0.00 0.00 -0.309 NA ATOM 38 H LIG 1 -6.477 1.684 -0.776 0.00 0.00 +0.122 HD ENDBRANCH 34 37 ENDBRANCH 30 34 ENDBRANCH 23 31 ENDBRANCH 1 23 TORSDOF 8