REMARK Name = BDB034155 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.579 -1.655 -1.011 0.00 0.00 -0.294 NA ATOM 2 C LIG 1 1.392 -1.450 0.434 0.00 0.00 +0.089 C ATOM 3 C LIG 1 0.078 -0.697 0.718 0.00 0.00 +0.051 C ATOM 4 C LIG 1 -1.084 -1.230 -0.085 0.00 0.00 -0.040 C ATOM 5 C LIG 1 -0.868 -2.080 -1.107 0.00 0.00 -0.007 C ATOM 6 C LIG 1 0.505 -2.509 -1.543 0.00 0.00 +0.112 C ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -2.448 -0.822 0.287 0.00 0.00 -0.004 A ATOM 8 C LIG 1 -3.328 -0.286 -0.656 0.00 0.00 +0.119 A ATOM 9 N LIG 1 -4.596 0.116 -0.391 0.00 0.00 -0.250 NA ATOM 10 C LIG 1 -5.007 -0.018 0.900 0.00 0.00 +0.125 A ATOM 11 C LIG 1 -4.214 -0.536 1.915 0.00 0.00 +0.033 A ATOM 12 C LIG 1 -2.917 -0.940 1.599 0.00 0.00 +0.012 A BRANCH 10 13 ATOM 13 C LIG 1 -6.410 0.419 1.196 0.00 0.00 +0.263 C ATOM 14 N LIG 1 -7.074 0.964 0.116 0.00 0.00 -0.305 N ATOM 15 H LIG 1 -6.585 0.897 -0.775 0.00 0.00 +0.149 HD ATOM 16 O LIG 1 -6.911 0.279 2.305 0.00 0.00 -0.269 OA BRANCH 14 17 ATOM 17 C LIG 1 -8.480 1.291 0.170 0.00 0.00 +0.101 C ATOM 18 C LIG 1 -9.408 0.078 0.116 0.00 0.00 +0.182 C ATOM 19 O LIG 1 -10.597 0.477 -0.590 0.00 0.00 -0.378 OA ATOM 20 C LIG 1 -10.431 1.837 -1.009 0.00 0.00 +0.162 C ATOM 21 C LIG 1 -8.944 2.101 -1.019 0.00 0.00 +0.052 C ENDBRANCH 14 17 ENDBRANCH 10 13 ENDBRANCH 4 7 BRANCH 1 22 ATOM 22 C LIG 1 2.890 -2.241 -1.324 0.00 0.00 +0.121 C BRANCH 22 32 ATOM 23 C LIG 1 8.232 1.199 0.124 0.00 0.00 +0.019 A ATOM 24 C LIG 1 8.316 -0.120 0.833 0.00 0.00 +0.252 A ATOM 25 O LIG 1 9.274 -0.419 1.538 0.00 0.00 -0.268 OA ATOM 26 N LIG 1 7.270 -0.991 0.659 0.00 0.00 -0.321 N ATOM 27 H LIG 1 7.344 -1.873 1.147 0.00 0.00 +0.169 HD ATOM 28 C LIG 1 6.161 -0.705 -0.144 0.00 0.00 +0.068 A ATOM 29 C LIG 1 6.085 0.514 -0.816 0.00 0.00 +0.088 A ATOM 30 N LIG 1 5.056 0.869 -1.612 0.00 0.00 -0.253 NA ATOM 31 C LIG 1 4.057 -0.038 -1.737 0.00 0.00 +0.116 A ATOM 32 C LIG 1 4.036 -1.284 -1.107 0.00 0.00 -0.013 A ATOM 33 C LIG 1 5.125 -1.619 -0.293 0.00 0.00 +0.034 A ATOM 34 C LIG 1 7.173 1.472 -0.660 0.00 0.00 +0.038 A BRANCH 23 36 ATOM 35 C LIG 1 9.325 2.881 1.637 0.00 0.00 +0.009 C ATOM 36 C LIG 1 9.382 2.152 0.302 0.00 0.00 +0.037 C ENDBRANCH 23 36 ENDBRANCH 22 32 ENDBRANCH 1 22 TORSDOF 6