REMARK Name = BDB019424 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.098 -1.293 -1.483 0.00 0.00 +0.237 C ATOM 2 N LIG 1 -0.860 -0.128 -2.187 0.00 0.00 -0.286 N ATOM 3 C LIG 1 0.502 0.445 -2.222 0.00 0.00 +0.164 C ATOM 4 C LIG 1 0.470 1.486 -3.349 0.00 0.00 +0.065 C ATOM 5 C LIG 1 -0.693 1.043 -4.220 0.00 0.00 +0.134 C ATOM 6 C LIG 1 -1.696 0.480 -3.214 0.00 0.00 +0.140 C ATOM 7 O LIG 1 -0.131 -1.974 -1.115 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 0.828 1.087 -0.850 0.00 0.00 +0.234 C ATOM 9 N LIG 1 1.013 0.174 0.162 0.00 0.00 -0.310 N ATOM 10 H LIG 1 0.934 -0.819 -0.058 0.00 0.00 +0.149 HD ATOM 11 O LIG 1 0.881 2.302 -0.671 0.00 0.00 -0.274 OA BRANCH 9 12 ATOM 12 C LIG 1 1.313 0.548 1.521 0.00 0.00 +0.139 C BRANCH 12 13 ATOM 13 C LIG 1 2.793 0.465 1.784 0.00 0.00 -0.030 A ATOM 14 C LIG 1 3.377 -0.732 2.217 0.00 0.00 +0.006 A ATOM 15 C LIG 1 4.755 -0.807 2.441 0.00 0.00 +0.012 A ATOM 16 C LIG 1 5.579 0.309 2.232 0.00 0.00 +0.022 A ATOM 17 C LIG 1 4.992 1.502 1.788 0.00 0.00 +0.012 A ATOM 18 C LIG 1 3.614 1.579 1.564 0.00 0.00 +0.006 A BRANCH 16 19 ATOM 19 C LIG 1 7.016 0.216 2.470 0.00 0.00 +0.202 A ATOM 20 N LIG 1 7.871 1.247 2.329 0.00 0.00 -0.056 NA ATOM 21 O LIG 1 9.109 0.697 2.658 0.00 0.00 -0.341 OA ATOM 22 C LIG 1 8.880 -0.603 2.967 0.00 0.00 +0.343 A ATOM 23 N LIG 1 7.624 -0.956 2.876 0.00 0.00 -0.194 NA ENDBRANCH 16 19 ENDBRANCH 12 13 ENDBRANCH 9 12 ENDBRANCH 3 8 BRANCH 5 24 ATOM 24 O LIG 1 -0.267 0.023 -5.125 0.00 0.00 -0.390 OA ATOM 25 H LIG 1 0.001 -0.757 -4.607 0.00 0.00 +0.210 HD ENDBRANCH 5 24 BRANCH 1 26 ATOM 26 C LIG 1 -2.517 -1.619 -0.932 0.00 0.00 +0.165 C BRANCH 26 27 ATOM 27 N LIG 1 -2.737 -0.764 0.246 0.00 0.00 -0.281 N ATOM 28 C LIG 1 -2.435 -1.180 1.536 0.00 0.00 +0.248 C ATOM 29 O LIG 1 -2.081 -2.279 1.914 0.00 0.00 -0.270 OA ATOM 30 C LIG 1 -2.614 -0.017 2.411 0.00 0.00 +0.042 A ATOM 31 C LIG 1 -2.964 1.073 1.618 0.00 0.00 -0.018 A ATOM 32 C LIG 1 -3.181 2.313 2.193 0.00 0.00 +0.006 A ATOM 33 C LIG 1 -3.042 2.429 3.581 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -2.690 1.318 4.370 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -2.471 0.071 3.782 0.00 0.00 +0.013 A ATOM 36 C LIG 1 -3.013 0.665 0.184 0.00 0.00 +0.144 C ENDBRANCH 26 27 BRANCH 26 38 ATOM 37 C LIG 1 -3.469 -2.682 -3.022 0.00 0.00 +0.009 C ATOM 38 C LIG 1 -3.716 -1.665 -1.898 0.00 0.00 +0.012 C ATOM 39 C LIG 1 -5.007 -2.064 -1.165 0.00 0.00 +0.009 C ENDBRANCH 26 38 ENDBRANCH 1 26 TORSDOF 8