REMARK Name = BDB016685 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.682 -2.041 -1.160 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -4.594 -2.319 0.217 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -3.366 -2.137 0.864 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -2.209 -1.731 0.209 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -1.209 -1.680 1.231 0.00 0.00 +0.093 A ATOM 6 N LIG 1 -1.726 -1.981 2.432 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 -2.288 -1.475 -1.172 0.00 0.00 +0.012 A ATOM 8 N LIG 1 -3.007 -2.281 2.174 0.00 0.00 -0.276 N ATOM 9 H LIG 1 -3.597 -2.565 2.947 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -3.517 -1.640 -1.832 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -6.695 1.509 1.027 0.00 0.00 +0.120 A ATOM 12 C LIG 1 -6.334 0.660 -0.026 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -7.256 -0.272 -0.487 0.00 0.00 -0.007 A ATOM 14 C LIG 1 -7.204 -1.329 -1.555 0.00 0.00 +0.081 C ATOM 15 C LIG 1 -6.000 -2.188 -1.889 0.00 0.00 +0.040 C ATOM 16 C LIG 1 -8.583 -1.950 -1.524 0.00 0.00 +0.228 C ATOM 17 N LIG 1 -9.296 -1.306 -0.528 0.00 0.00 -0.284 N ATOM 18 H LIG 1 -10.253 -1.535 -0.308 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 -8.967 -2.850 -2.250 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 -6.475 -1.115 -2.849 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -8.533 -0.315 0.093 0.00 0.00 +0.038 A ATOM 22 C LIG 1 -8.929 0.520 1.115 0.00 0.00 +0.027 A ATOM 23 C LIG 1 -7.988 1.440 1.581 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 -4.511 2.429 1.221 0.00 0.00 +0.277 C ATOM 25 O LIG 1 -5.883 2.452 1.600 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 0.173 -1.326 1.095 0.00 0.00 +0.031 C ATOM 27 C LIG 1 0.953 -1.539 0.022 0.00 0.00 +0.010 C BRANCH 27 28 ATOM 28 C LIG 1 2.373 -1.165 -0.043 0.00 0.00 -0.025 A ATOM 29 C LIG 1 2.884 -0.653 -1.242 0.00 0.00 +0.008 A ATOM 30 C LIG 1 4.234 -0.310 -1.353 0.00 0.00 +0.004 A ATOM 31 C LIG 1 5.103 -0.489 -0.270 0.00 0.00 -0.046 A ATOM 32 C LIG 1 4.597 -1.011 0.926 0.00 0.00 +0.004 A ATOM 33 C LIG 1 3.245 -1.353 1.035 0.00 0.00 +0.008 A BRANCH 31 34 ATOM 34 C LIG 1 6.558 -0.099 -0.382 0.00 0.00 +0.050 C BRANCH 34 35 ATOM 35 C LIG 1 6.793 1.348 0.085 0.00 0.00 +0.089 C BRANCH 35 36 ATOM 36 N LIG 1 8.185 1.800 -0.096 0.00 0.00 -0.298 NA ATOM 37 C LIG 1 8.331 3.243 0.201 0.00 0.00 +0.112 C ATOM 38 C LIG 1 8.884 3.526 1.607 0.00 0.00 +0.175 C ATOM 39 O LIG 1 10.178 2.949 1.831 0.00 0.00 -0.377 OA ATOM 40 C LIG 1 10.423 1.788 1.026 0.00 0.00 +0.175 C ATOM 41 C LIG 1 9.138 1.006 0.713 0.00 0.00 +0.112 C ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 5 26 TORSDOF 7