REMARK Name = BDB065424 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.908 -0.775 1.546 0.00 0.00 -0.195 N ATOM 2 C LIG 1 -0.078 -0.616 0.486 0.00 0.00 +0.273 C ATOM 3 O LIG 1 -0.245 0.147 -0.454 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.063 -1.578 0.701 0.00 0.00 +0.216 C ATOM 5 C LIG 1 2.423 -0.943 0.726 0.00 0.00 +0.008 A ATOM 6 C LIG 1 3.092 -1.189 -0.479 0.00 0.00 -0.038 A ATOM 7 C LIG 1 4.361 -0.680 -0.718 0.00 0.00 +0.027 A ATOM 8 C LIG 1 4.982 0.073 0.282 0.00 0.00 +0.034 A ATOM 9 C LIG 1 4.306 0.309 1.496 0.00 0.00 +0.024 A ATOM 10 C LIG 1 2.240 -1.994 -1.413 0.00 0.00 +0.040 C ATOM 11 C LIG 1 3.022 -0.196 1.725 0.00 0.00 +0.010 A ATOM 12 C LIG 1 1.204 -2.590 -0.447 0.00 0.00 +0.067 C ATOM 13 O LIG 1 0.742 -2.228 1.928 0.00 0.00 -0.429 OA ATOM 14 C LIG 1 -0.455 -1.743 2.368 0.00 0.00 +0.411 C ATOM 15 O LIG 1 -1.000 -2.137 3.387 0.00 0.00 -0.226 OA ENDROOT BRANCH 8 16 ATOM 16 N LIG 1 6.264 0.632 0.150 0.00 0.00 -0.284 N ATOM 17 H LIG 1 6.646 1.145 0.942 0.00 0.00 +0.155 HD ATOM 18 C LIG 1 7.167 0.490 -0.891 0.00 0.00 +0.237 C ATOM 19 O LIG 1 7.010 -0.174 -1.911 0.00 0.00 -0.273 OA BRANCH 18 20 ATOM 20 C LIG 1 8.445 1.349 -0.650 0.00 0.00 +0.088 C ATOM 21 C LIG 1 9.624 0.804 -1.461 0.00 0.00 +0.037 C ATOM 22 C LIG 1 8.145 2.797 -1.048 0.00 0.00 +0.037 C BRANCH 20 23 ATOM 23 N LIG 1 8.780 1.324 0.801 0.00 0.00 -0.318 NA ATOM 24 H LIG 1 9.062 0.371 1.046 0.00 0.00 +0.119 HD ATOM 25 H LIG 1 9.616 1.893 0.951 0.00 0.00 +0.119 HD ENDBRANCH 20 23 ENDBRANCH 18 20 ENDBRANCH 8 16 BRANCH 1 26 ATOM 26 C LIG 1 -2.203 -0.145 1.659 0.00 0.00 +0.215 C BRANCH 26 28 ATOM 27 N LIG 1 -4.516 -0.445 0.737 0.00 0.00 -0.293 N ATOM 28 C LIG 1 -3.231 -0.971 0.868 0.00 0.00 +0.234 C ATOM 29 O LIG 1 -2.907 -2.060 0.385 0.00 0.00 -0.274 OA BRANCH 27 31 ATOM 30 C LIG 1 -5.188 -1.482 -1.456 0.00 0.00 +0.028 C ATOM 31 C LIG 1 -5.555 -1.191 0.000 0.00 0.00 +0.076 C BRANCH 31 32 ATOM 32 C LIG 1 -5.923 -2.451 0.746 0.00 0.00 +0.009 C ATOM 33 C LIG 1 -7.340 -2.970 0.721 0.00 0.00 +0.005 C ATOM 34 C LIG 1 -6.777 -2.393 1.989 0.00 0.00 +0.005 C ENDBRANCH 31 32 ENDBRANCH 27 31 BRANCH 27 35 ATOM 35 C LIG 1 -4.926 0.845 1.300 0.00 0.00 +0.143 C BRANCH 35 36 ATOM 36 C LIG 1 -5.115 1.925 0.259 0.00 0.00 -0.030 A ATOM 37 C LIG 1 -4.160 2.163 -0.741 0.00 0.00 +0.005 A ATOM 38 C LIG 1 -4.345 3.186 -1.673 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -5.481 3.990 -1.613 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -6.432 3.774 -0.620 0.00 0.00 +0.000 A ATOM 41 C LIG 1 -6.250 2.751 0.313 0.00 0.00 +0.005 A ENDBRANCH 35 36 ENDBRANCH 27 35 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 9