REMARK Name = BDB005682 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.558 1.759 -0.613 0.00 0.00 +0.200 A ATOM 2 N LIG 1 -0.380 0.388 -0.583 0.00 0.00 -0.310 N ATOM 3 C LIG 1 -1.627 -0.199 -0.439 0.00 0.00 +0.096 A ATOM 4 C LIG 1 -2.480 0.890 -0.257 0.00 0.00 +0.095 A ATOM 5 C LIG 1 -3.837 0.700 -0.008 0.00 0.00 +0.061 A ATOM 6 C LIG 1 -4.249 -0.616 0.037 0.00 0.00 +0.112 A ATOM 7 N LIG 1 -3.443 -1.693 -0.154 0.00 0.00 -0.241 NA ATOM 8 C LIG 1 -2.120 -1.509 -0.411 0.00 0.00 +0.099 A ATOM 9 N LIG 1 -1.805 2.074 -0.361 0.00 0.00 -0.214 NA ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 2.366 3.150 -2.320 0.00 0.00 +0.030 C ATOM 11 C LIG 1 0.874 2.815 -2.240 0.00 0.00 +0.099 C ATOM 12 N LIG 1 0.481 2.618 -0.812 0.00 0.00 -0.294 N ATOM 13 C LIG 1 0.363 3.910 -0.082 0.00 0.00 +0.136 C ATOM 14 C LIG 1 -0.463 4.948 -0.857 0.00 0.00 +0.179 C ATOM 15 O LIG 1 0.059 5.147 -2.181 0.00 0.00 -0.376 OA ATOM 16 C LIG 1 0.014 3.911 -2.909 0.00 0.00 +0.182 C ENDBRANCH 1 12 BRANCH 6 17 ATOM 17 C LIG 1 -5.662 -0.935 0.301 0.00 0.00 +0.201 A ATOM 18 N LIG 1 -6.049 -2.216 0.326 0.00 0.00 -0.270 N ATOM 19 H LIG 1 -5.470 -3.026 0.178 0.00 0.00 +0.174 HD ATOM 20 C LIG 1 -7.363 -2.219 0.582 0.00 0.00 +0.440 A ATOM 21 O LIG 1 -8.075 -3.206 0.680 0.00 0.00 -0.221 OA ATOM 22 O LIG 1 -7.781 -0.917 0.715 0.00 0.00 -0.295 OA ATOM 23 N LIG 1 -6.620 -0.097 0.520 0.00 0.00 -0.053 NA ENDBRANCH 6 17 BRANCH 8 24 ATOM 24 C LIG 1 -1.355 -2.718 -0.656 0.00 0.00 +0.022 A ATOM 25 C LIG 1 -1.088 -3.636 0.369 0.00 0.00 +0.033 A ATOM 26 C LIG 1 -0.359 -4.789 0.096 0.00 0.00 +0.060 A ATOM 27 CL LIG 1 -0.001 -5.910 1.343 0.00 0.00 -0.082 Cl ATOM 28 C LIG 1 0.077 -5.003 -1.202 0.00 0.00 +0.130 A ATOM 29 N LIG 1 -0.172 -4.153 -2.227 0.00 0.00 -0.261 NA ATOM 30 C LIG 1 -0.895 -3.046 -1.931 0.00 0.00 +0.120 A ENDBRANCH 8 24 BRANCH 2 31 ATOM 31 C LIG 1 0.909 -0.282 -0.612 0.00 0.00 +0.128 C BRANCH 31 32 ATOM 32 C LIG 1 1.388 -0.812 0.755 0.00 0.00 +0.009 C ATOM 33 C LIG 1 1.762 0.311 1.746 0.00 0.00 +0.005 C ATOM 34 C LIG 1 3.244 0.666 1.685 0.00 0.00 +0.003 C ATOM 35 C LIG 1 4.140 -0.533 2.047 0.00 0.00 -0.014 C ATOM 36 C LIG 1 4.586 -0.476 3.509 0.00 0.00 +0.007 C ATOM 37 C LIG 1 3.464 -1.883 1.753 0.00 0.00 +0.003 C ATOM 38 C LIG 1 2.559 -1.792 0.531 0.00 0.00 +0.005 C ENDBRANCH 31 32 ENDBRANCH 2 31 TORSDOF 5