REMARK Name = BDB060005 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.623 -1.749 0.178 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.379 -3.250 0.102 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.792 -3.973 -1.028 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.553 -5.345 -1.120 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -0.906 -6.013 -0.082 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.506 -5.311 1.054 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.745 -3.940 1.149 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 0.695 -1.180 -0.441 0.00 0.00 -0.281 N ATOM 9 H LIG 1 0.520 -1.890 -1.144 0.00 0.00 +0.155 HD ATOM 10 C LIG 1 -0.305 -0.976 0.499 0.00 0.00 +0.239 C ATOM 11 O LIG 1 -0.207 -0.246 1.484 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 4.479 0.472 -0.595 0.00 0.00 +0.163 A ATOM 13 N LIG 1 4.146 -0.458 -1.507 0.00 0.00 -0.234 NA ATOM 14 C LIG 1 2.898 -0.964 -1.403 0.00 0.00 +0.138 A ATOM 15 C LIG 1 1.975 -0.588 -0.444 0.00 0.00 +0.070 A ATOM 16 C LIG 1 2.432 0.375 0.435 0.00 0.00 +0.138 A ATOM 17 N LIG 1 3.670 0.919 0.383 0.00 0.00 -0.234 NA BRANCH 12 22 ATOM 18 C LIG 1 8.569 3.147 0.268 0.00 0.00 +0.172 C ATOM 19 N LIG 1 7.612 2.222 -0.287 0.00 0.00 -0.274 N ATOM 20 N LIG 1 7.952 1.478 -1.357 0.00 0.00 -0.179 NA ATOM 21 C LIG 1 6.852 0.754 -1.593 0.00 0.00 +0.146 A ATOM 22 C LIG 1 5.810 1.031 -0.683 0.00 0.00 +0.056 A ATOM 23 C LIG 1 6.342 1.992 0.154 0.00 0.00 +0.119 A ENDBRANCH 12 22 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 24 ATOM 24 N LIG 1 -2.656 -1.459 1.194 0.00 0.00 -0.302 NA ATOM 25 H LIG 1 -2.176 -1.161 2.049 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -3.615 -0.427 0.789 0.00 0.00 +0.086 C BRANCH 26 27 ATOM 27 C LIG 1 -3.045 0.998 0.720 0.00 0.00 +0.050 C BRANCH 27 28 ATOM 28 C LIG 1 -4.116 2.009 0.381 0.00 0.00 -0.046 A ATOM 29 C LIG 1 -4.856 2.623 1.399 0.00 0.00 +0.005 A ATOM 30 C LIG 1 -5.859 3.546 1.088 0.00 0.00 +0.019 A ATOM 31 C LIG 1 -6.133 3.860 -0.246 0.00 0.00 +0.052 A ATOM 32 C LIG 1 -5.401 3.247 -1.267 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -4.399 2.324 -0.955 0.00 0.00 +0.005 A BRANCH 31 34 ATOM 34 C LIG 1 -7.161 4.806 -0.566 0.00 0.00 +0.099 C ATOM 35 N LIG 1 -7.994 5.571 -0.828 0.00 0.00 -0.191 NA ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9