REMARK Name = BDB008193 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.196 -1.060 0.051 0.00 0.00 +0.159 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 1.221 -0.857 0.500 0.00 0.00 +0.234 C ATOM 3 N LIG 1 0.193 -1.056 -0.398 0.00 0.00 -0.302 N ATOM 4 H LIG 1 0.392 -1.658 -1.190 0.00 0.00 +0.150 HD ATOM 5 O LIG 1 1.040 -0.498 1.663 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 C LIG 1 2.623 -1.177 -0.055 0.00 0.00 +0.156 C ATOM 7 C LIG 1 2.872 -2.677 0.015 0.00 0.00 +0.038 C BRANCH 6 9 ATOM 8 C LIG 1 4.038 0.794 0.355 0.00 0.00 +0.214 C ATOM 9 N LIG 1 3.603 -0.457 0.751 0.00 0.00 -0.304 N ATOM 10 H LIG 1 3.506 -0.591 1.752 0.00 0.00 +0.149 HD ATOM 11 O LIG 1 3.817 1.254 -0.758 0.00 0.00 -0.276 OA BRANCH 8 12 ATOM 12 C LIG 1 4.827 1.504 1.445 0.00 0.00 +0.098 C BRANCH 12 14 ATOM 13 C LIG 1 4.256 3.916 0.839 0.00 0.00 +0.008 C ATOM 14 C LIG 1 5.368 2.902 1.110 0.00 0.00 -0.008 C ATOM 15 C LIG 1 6.391 2.884 -0.026 0.00 0.00 +0.008 C ENDBRANCH 12 14 ENDBRANCH 8 12 ENDBRANCH 6 9 ENDBRANCH 2 6 ENDBRANCH 1 3 BRANCH 1 16 ATOM 16 C LIG 1 -1.601 -2.532 0.277 0.00 0.00 +0.234 C ATOM 17 N LIG 1 -2.706 -2.707 1.085 0.00 0.00 -0.303 N ATOM 18 H LIG 1 -3.310 -1.901 1.206 0.00 0.00 +0.149 HD ATOM 19 O LIG 1 -1.008 -3.467 -0.262 0.00 0.00 -0.274 OA BRANCH 17 20 ATOM 20 C LIG 1 -3.380 -3.999 1.127 0.00 0.00 +0.156 C ATOM 21 C LIG 1 -4.046 -4.214 2.478 0.00 0.00 +0.038 C BRANCH 20 22 ATOM 22 C LIG 1 -4.436 -4.020 0.006 0.00 0.00 +0.231 C ATOM 23 O LIG 1 -4.855 -3.006 -0.549 0.00 0.00 -0.274 OA ATOM 24 N LIG 1 -4.941 -5.248 -0.314 0.00 0.00 -0.328 N ATOM 25 H LIG 1 -5.564 -5.273 -1.113 0.00 0.00 +0.145 HD ATOM 26 H LIG 1 -4.420 -6.091 -0.115 0.00 0.00 +0.145 HD ENDBRANCH 20 22 ENDBRANCH 17 20 ENDBRANCH 1 16 BRANCH 1 27 ATOM 27 C LIG 1 -2.115 -0.426 -1.000 0.00 0.00 +0.033 C BRANCH 27 28 ATOM 28 C LIG 1 -1.877 1.080 -1.142 0.00 0.00 +0.023 C BRANCH 28 29 ATOM 29 C LIG 1 -2.791 1.688 -2.205 0.00 0.00 +0.115 C BRANCH 29 30 ATOM 30 N LIG 1 -2.557 3.115 -2.306 0.00 0.00 -0.356 N ATOM 31 H LIG 1 -2.412 3.432 -3.259 0.00 0.00 +0.162 HD BRANCH 30 32 ATOM 32 C LIG 1 -3.155 4.054 -1.544 0.00 0.00 +0.188 C ATOM 33 N LIG 1 -3.876 3.902 -0.498 0.00 0.00 -0.269 NA ATOM 34 H LIG 1 -3.961 2.909 -0.284 0.00 0.00 +0.190 HD BRANCH 32 35 ATOM 35 N LIG 1 -2.901 5.295 -1.999 0.00 0.00 -0.370 N ATOM 36 H LIG 1 -3.252 5.968 -1.323 0.00 0.00 +0.159 HD ATOM 37 H LIG 1 -1.912 5.449 -2.155 0.00 0.00 +0.159 HD ENDBRANCH 32 35 ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 1 27 TORSDOF 14