REMARK Name = BDB031766 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.934 0.756 -2.533 0.00 0.00 -0.041 A ATOM 2 C LIG 1 3.564 1.492 -1.390 0.00 0.00 +0.031 A ATOM 3 C LIG 1 2.267 1.345 -0.887 0.00 0.00 +0.068 A ATOM 4 C LIG 1 1.312 0.525 -1.471 0.00 0.00 +0.041 A ATOM 5 C LIG 1 0.144 0.673 -0.657 0.00 0.00 +0.154 A ATOM 6 N LIG 1 0.381 1.491 0.373 0.00 0.00 -0.157 NA ATOM 7 C LIG 1 1.664 -0.194 -2.628 0.00 0.00 +0.014 A ATOM 8 N LIG 1 1.642 1.901 0.193 0.00 0.00 -0.275 N ATOM 9 H LIG 1 2.028 2.560 0.858 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 2.966 -0.063 -3.139 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 6.054 -1.401 1.029 0.00 0.00 +0.120 A ATOM 12 C LIG 1 5.754 -1.039 -0.293 0.00 0.00 +0.052 A ATOM 13 C LIG 1 6.577 -0.142 -0.958 0.00 0.00 -0.007 A ATOM 14 C LIG 1 6.559 0.450 -2.340 0.00 0.00 +0.081 C ATOM 15 C LIG 1 5.326 0.883 -3.107 0.00 0.00 +0.040 C ATOM 16 C LIG 1 7.802 1.309 -2.385 0.00 0.00 +0.228 C ATOM 17 N LIG 1 8.407 1.216 -1.144 0.00 0.00 -0.284 N ATOM 18 H LIG 1 9.264 1.696 -0.919 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 8.179 1.956 -3.348 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 6.108 -0.344 -3.532 0.00 0.00 +0.031 C ATOM 21 C LIG 1 7.703 0.363 -0.292 0.00 0.00 +0.038 A ATOM 22 C LIG 1 8.031 0.027 1.004 0.00 0.00 +0.027 A ATOM 23 C LIG 1 7.187 -0.868 1.670 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 5.384 -2.656 2.938 0.00 0.00 +0.277 C ATOM 25 O LIG 1 5.168 -2.286 1.583 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -1.000 -0.002 -0.914 0.00 0.00 -0.279 N ATOM 27 H LIG 1 -1.039 -0.597 -1.732 0.00 0.00 +0.155 HD BRANCH 26 28 ATOM 28 C LIG 1 -2.321 0.310 -0.502 0.00 0.00 +0.172 A ATOM 29 C LIG 1 -3.291 -0.697 -0.577 0.00 0.00 +0.200 A ATOM 30 C LIG 1 -4.601 -0.379 -0.216 0.00 0.00 +0.169 A ATOM 31 N LIG 1 -4.867 0.848 0.280 0.00 0.00 -0.213 NA ATOM 32 C LIG 1 -3.872 1.748 0.360 0.00 0.00 +0.136 A ATOM 33 N LIG 1 -2.614 1.529 -0.029 0.00 0.00 -0.213 NA BRANCH 30 34 ATOM 34 N LIG 1 -5.706 -1.213 -0.361 0.00 0.00 -0.308 N ATOM 35 C LIG 1 -5.633 -2.502 -1.060 0.00 0.00 +0.134 C ATOM 36 C LIG 1 -7.045 -3.009 -1.393 0.00 0.00 +0.178 C ATOM 37 O LIG 1 -7.866 -3.089 -0.218 0.00 0.00 -0.377 OA ATOM 38 C LIG 1 -8.004 -1.783 0.363 0.00 0.00 +0.178 C ATOM 39 C LIG 1 -6.645 -1.199 0.779 0.00 0.00 +0.134 C ENDBRANCH 30 34 BRANCH 29 40 ATOM 40 O LIG 1 -2.916 -1.950 -1.008 0.00 0.00 -0.489 OA ATOM 41 C LIG 1 -2.410 -2.703 0.102 0.00 0.00 +0.277 C ENDBRANCH 29 40 BRANCH 32 42 ATOM 42 C LIG 1 -4.199 3.096 0.936 0.00 0.00 +0.110 C BRANCH 42 43 ATOM 43 C LIG 1 -3.980 3.213 2.457 0.00 0.00 +0.067 C ATOM 44 C LIG 1 -2.502 3.103 2.841 0.00 0.00 +0.041 C ATOM 45 C LIG 1 -4.811 2.205 3.259 0.00 0.00 +0.041 C BRANCH 43 46 ATOM 46 O LIG 1 -4.404 4.529 2.863 0.00 0.00 -0.389 OA ATOM 47 H LIG 1 -5.361 4.599 2.700 0.00 0.00 +0.210 HD ENDBRANCH 43 46 ENDBRANCH 42 43 ENDBRANCH 32 42 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 9