REMARK Name = BDB022774 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.896 -1.717 0.545 0.00 0.00 +0.101 A ATOM 2 C LIG 1 -0.937 -1.252 -0.806 0.00 0.00 +0.080 A ATOM 3 C LIG 1 0.340 -1.486 -1.281 0.00 0.00 +0.122 A ATOM 4 N LIG 1 1.065 -1.971 -0.235 0.00 0.00 -0.266 N ATOM 5 N LIG 1 0.336 -2.132 0.884 0.00 0.00 -0.173 NA ENDROOT BRANCH 2 6 ATOM 6 C LIG 1 -2.015 -0.687 -1.602 0.00 0.00 +0.248 C ATOM 7 N LIG 1 -2.955 0.018 -0.886 0.00 0.00 -0.307 N ATOM 8 H LIG 1 -2.690 0.338 0.034 0.00 0.00 +0.149 HD ATOM 9 O LIG 1 -2.053 -0.806 -2.821 0.00 0.00 -0.270 OA BRANCH 7 10 ATOM 10 C LIG 1 -3.980 0.801 -1.556 0.00 0.00 +0.142 C BRANCH 10 11 ATOM 11 C LIG 1 -5.313 0.749 -0.823 0.00 0.00 -0.001 A ATOM 12 C LIG 1 -6.237 1.823 -0.749 0.00 0.00 +0.074 A ATOM 13 C LIG 1 -7.408 1.668 0.022 0.00 0.00 +0.032 A ATOM 14 C LIG 1 -7.694 0.460 0.661 0.00 0.00 +0.048 A ATOM 15 C LIG 1 -6.836 -0.625 0.540 0.00 0.00 +0.121 A ATOM 16 C LIG 1 -5.665 -0.479 -0.204 0.00 0.00 +0.053 A BRANCH 12 17 ATOM 17 N LIG 1 -6.065 3.049 -1.454 0.00 0.00 -0.200 N ATOM 18 N LIG 1 -5.145 3.233 -2.425 0.00 0.00 -0.039 NA ATOM 19 N LIG 1 -5.304 4.471 -2.867 0.00 0.00 -0.023 NA ATOM 20 N LIG 1 -6.323 5.099 -2.208 0.00 0.00 -0.116 NA ATOM 21 C LIG 1 -6.784 4.220 -1.350 0.00 0.00 +0.250 A ENDBRANCH 12 17 BRANCH 15 22 ATOM 22 O LIG 1 -7.251 -1.757 1.181 0.00 0.00 -0.495 OA ATOM 23 C LIG 1 -6.391 -2.890 1.125 0.00 0.00 +0.277 C ENDBRANCH 15 22 ENDBRANCH 10 11 ENDBRANCH 7 10 ENDBRANCH 2 6 BRANCH 1 24 ATOM 24 C LIG 1 -2.034 -1.788 1.529 0.00 0.00 +0.217 C BRANCH 24 26 ATOM 25 C LIG 1 -2.019 -4.072 2.192 0.00 0.00 +0.194 C ATOM 26 O LIG 1 -1.876 -2.720 2.608 0.00 0.00 -0.377 OA ENDBRANCH 24 26 ENDBRANCH 1 24 BRANCH 4 27 ATOM 27 C LIG 1 2.471 -2.355 -0.254 0.00 0.00 +0.178 C BRANCH 27 28 ATOM 28 C LIG 1 3.374 -1.146 -0.278 0.00 0.00 -0.026 A ATOM 29 C LIG 1 3.575 -0.390 0.885 0.00 0.00 +0.006 A ATOM 30 C LIG 1 4.397 0.739 0.865 0.00 0.00 +0.006 A ATOM 31 C LIG 1 5.032 1.137 -0.320 0.00 0.00 -0.026 A ATOM 32 C LIG 1 4.830 0.381 -1.483 0.00 0.00 +0.006 A ATOM 33 C LIG 1 4.010 -0.750 -1.462 0.00 0.00 +0.006 A BRANCH 31 34 ATOM 34 C LIG 1 5.911 2.363 -0.341 0.00 0.00 +0.178 C BRANCH 34 35 ATOM 35 N LIG 1 7.148 2.160 0.402 0.00 0.00 -0.267 N ATOM 36 N LIG 1 7.329 2.761 1.596 0.00 0.00 -0.179 NA ATOM 37 C LIG 1 8.563 2.392 1.950 0.00 0.00 +0.137 A ATOM 38 C LIG 1 9.187 1.570 0.985 0.00 0.00 -0.013 A ATOM 39 C LIG 1 10.547 0.988 1.035 0.00 0.00 +0.047 C ATOM 40 C LIG 1 8.240 1.446 -0.009 0.00 0.00 +0.112 A ENDBRANCH 34 35 ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 4 27 TORSDOF 11