REMARK Name = BDB043065 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.049 -0.118 -1.734 0.00 0.00 +0.184 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.051 -0.653 -0.293 0.00 0.00 +0.328 C ATOM 3 O LIG 1 -1.681 -0.167 0.640 0.00 0.00 -0.249 OA BRANCH 2 5 ATOM 4 C LIG 1 -0.161 -2.294 1.123 0.00 0.00 +0.280 C ATOM 5 O LIG 1 -0.242 -1.749 -0.194 0.00 0.00 -0.467 OA ENDBRANCH 2 5 ENDBRANCH 1 2 BRANCH 1 6 ATOM 6 N LIG 1 -2.426 0.167 -2.218 0.00 0.00 -0.331 N ATOM 7 H LIG 1 -2.845 0.955 -1.699 0.00 0.00 +0.147 HD BRANCH 6 8 ATOM 8 C LIG 1 -3.326 -0.923 -2.204 0.00 0.00 +0.040 A ATOM 9 C LIG 1 -4.524 -0.901 -1.451 0.00 0.00 +0.058 A ATOM 10 C LIG 1 -5.405 -1.998 -1.490 0.00 0.00 +0.015 A ATOM 11 C LIG 1 -5.091 -3.127 -2.245 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -3.906 -3.165 -2.974 0.00 0.00 +0.002 A ATOM 13 C LIG 1 -3.037 -2.071 -2.957 0.00 0.00 +0.024 A BRANCH 9 14 ATOM 14 C LIG 1 -4.874 0.286 -0.610 0.00 0.00 +0.250 C ATOM 15 N LIG 1 -5.454 -0.017 0.610 0.00 0.00 -0.281 N ATOM 16 H LIG 1 -5.445 -0.989 0.889 0.00 0.00 +0.155 HD ATOM 17 O LIG 1 -4.590 1.404 -1.026 0.00 0.00 -0.270 OA BRANCH 15 18 ATOM 18 C LIG 1 -5.934 0.890 1.579 0.00 0.00 +0.034 A ATOM 19 C LIG 1 -6.370 0.354 2.798 0.00 0.00 +0.023 A ATOM 20 C LIG 1 -6.869 1.183 3.805 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -6.942 2.558 3.601 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -6.516 3.100 2.391 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -6.016 2.269 1.383 0.00 0.00 +0.023 A ENDBRANCH 15 18 ENDBRANCH 9 14 ENDBRANCH 6 8 ENDBRANCH 1 6 BRANCH 1 24 ATOM 24 C LIG 1 -0.235 1.188 -1.781 0.00 0.00 +0.068 C BRANCH 24 25 ATOM 25 C LIG 1 1.235 0.992 -1.493 0.00 0.00 -0.045 A ATOM 26 C LIG 1 2.089 0.475 -2.474 0.00 0.00 +0.007 A ATOM 27 C LIG 1 3.442 0.274 -2.193 0.00 0.00 +0.046 A ATOM 28 C LIG 1 3.965 0.584 -0.936 0.00 0.00 +0.121 A ATOM 29 C LIG 1 3.118 1.099 0.045 0.00 0.00 +0.046 A ATOM 30 C LIG 1 1.762 1.301 -0.233 0.00 0.00 +0.007 A BRANCH 28 31 ATOM 31 O LIG 1 5.302 0.336 -0.800 0.00 0.00 -0.487 OA BRANCH 31 32 ATOM 32 C LIG 1 5.901 0.674 0.448 0.00 0.00 +0.264 C BRANCH 32 33 ATOM 33 C LIG 1 7.370 0.340 0.371 0.00 0.00 -0.010 A ATOM 34 C LIG 1 8.301 1.308 -0.033 0.00 0.00 +0.007 A ATOM 35 C LIG 1 9.659 0.993 -0.115 0.00 0.00 +0.000 A ATOM 36 C LIG 1 10.097 -0.293 0.196 0.00 0.00 +0.000 A ATOM 37 C LIG 1 9.179 -1.268 0.583 0.00 0.00 +0.000 A ATOM 38 C LIG 1 7.821 -0.955 0.666 0.00 0.00 +0.007 A ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 28 31 ENDBRANCH 24 25 ENDBRANCH 1 24 TORSDOF 11