REMARK Name = BDB007633 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.250 -0.886 1.283 0.00 0.00 -0.033 A ATOM 2 C LIG 1 0.504 -0.333 0.229 0.00 0.00 +0.018 A ATOM 3 C LIG 1 -0.421 -1.118 -0.475 0.00 0.00 +0.037 A ATOM 4 C LIG 1 -0.583 -2.467 -0.139 0.00 0.00 +0.013 A ATOM 5 C LIG 1 0.152 -3.023 0.908 0.00 0.00 +0.001 A ATOM 6 C LIG 1 1.059 -2.236 1.617 0.00 0.00 +0.005 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -1.230 -0.568 -1.599 0.00 0.00 +0.244 C ATOM 8 N LIG 1 -1.470 0.788 -1.576 0.00 0.00 -0.309 N ATOM 9 H LIG 1 -1.337 1.297 -0.711 0.00 0.00 +0.149 HD ATOM 10 O LIG 1 -1.686 -1.313 -2.460 0.00 0.00 -0.270 OA BRANCH 8 11 ATOM 11 C LIG 1 -2.357 1.425 -2.536 0.00 0.00 +0.137 C BRANCH 11 12 ATOM 12 C LIG 1 -3.791 1.588 -2.012 0.00 0.00 +0.145 C BRANCH 12 13 ATOM 13 O LIG 1 -3.763 2.321 -0.774 0.00 0.00 -0.389 OA ATOM 14 H LIG 1 -4.627 2.117 -0.358 0.00 0.00 +0.210 HD ENDBRANCH 12 13 BRANCH 12 15 ATOM 15 C LIG 1 -4.526 0.250 -1.788 0.00 0.00 +0.117 C BRANCH 15 16 ATOM 16 N LIG 1 -5.861 0.471 -1.174 0.00 0.00 -0.295 NA ATOM 17 C LIG 1 -6.341 -0.799 -0.582 0.00 0.00 +0.120 C ATOM 18 C LIG 1 -7.760 -0.728 -0.060 0.00 0.00 -0.030 A ATOM 19 C LIG 1 -8.651 0.255 -0.523 0.00 0.00 -0.042 A ATOM 20 C LIG 1 -9.969 0.281 -0.048 0.00 0.00 +0.004 A ATOM 21 C LIG 1 -10.408 -0.680 0.862 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -9.534 -1.668 1.308 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -8.168 1.314 -1.479 0.00 0.00 +0.051 C ATOM 24 C LIG 1 -8.217 -1.695 0.848 0.00 0.00 +0.005 A ATOM 25 C LIG 1 -6.849 0.934 -2.166 0.00 0.00 +0.089 C ENDBRANCH 15 16 ENDBRANCH 12 15 ENDBRANCH 11 12 ENDBRANCH 8 11 ENDBRANCH 3 7 BRANCH 1 26 ATOM 26 C LIG 1 2.245 -0.040 2.052 0.00 0.00 +0.119 C BRANCH 26 30 ATOM 27 N LIG 1 6.532 -0.184 1.542 0.00 0.00 -0.300 NA ATOM 28 C LIG 1 5.947 -0.324 2.893 0.00 0.00 +0.100 C ATOM 29 C LIG 1 4.480 0.156 2.951 0.00 0.00 +0.100 C ATOM 30 N LIG 1 3.617 -0.564 1.994 0.00 0.00 -0.296 NA ATOM 31 C LIG 1 4.196 -0.436 0.640 0.00 0.00 +0.100 C ATOM 32 C LIG 1 5.670 -0.905 0.579 0.00 0.00 +0.100 C BRANCH 27 33 ATOM 33 C LIG 1 7.911 -0.699 1.536 0.00 0.00 +0.085 C BRANCH 33 34 ATOM 34 C LIG 1 8.687 -0.397 0.248 0.00 0.00 +0.024 C BRANCH 34 35 ATOM 35 C LIG 1 8.745 1.096 -0.072 0.00 0.00 +0.097 C BRANCH 35 39 ATOM 36 N LIG 1 9.667 2.702 -1.622 0.00 0.00 -0.329 N ATOM 37 H LIG 1 10.167 2.933 -2.471 0.00 0.00 +0.145 HD ATOM 38 H LIG 1 9.030 3.385 -1.237 0.00 0.00 +0.145 HD ATOM 39 C LIG 1 9.601 1.380 -1.286 0.00 0.00 +0.211 C ATOM 40 O LIG 1 10.208 0.536 -1.932 0.00 0.00 -0.276 OA ENDBRANCH 35 39 ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 27 33 ENDBRANCH 26 30 ENDBRANCH 1 26 TORSDOF 12