REMARK Name = BDB058054 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.159 -1.711 -0.174 0.00 0.00 -0.021 A ATOM 2 C LIG 1 -0.835 -1.257 -0.251 0.00 0.00 +0.021 A ATOM 3 C LIG 1 0.085 -1.588 0.753 0.00 0.00 +0.037 A ATOM 4 C LIG 1 -0.324 -2.365 1.843 0.00 0.00 +0.013 A ATOM 5 C LIG 1 -1.635 -2.835 1.915 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -2.545 -2.516 0.906 0.00 0.00 +0.008 A ENDROOT BRANCH 1 13 ATOM 7 C LIG 1 -7.057 0.405 0.856 0.00 0.00 +0.079 A ATOM 8 C LIG 1 -6.127 -0.027 -0.072 0.00 0.00 +0.152 A ATOM 9 O LIG 1 -4.879 -0.550 0.189 0.00 0.00 -0.451 OA ATOM 10 C LIG 1 -4.314 -0.844 -1.045 0.00 0.00 +0.176 C ATOM 11 C LIG 1 -5.241 -0.487 -2.148 0.00 0.00 +0.231 C ATOM 12 O LIG 1 -5.083 -0.596 -3.344 0.00 0.00 -0.283 OA ATOM 13 C LIG 1 -3.095 -1.361 -1.247 0.00 0.00 +0.058 C ATOM 14 C LIG 1 -6.403 0.035 -1.439 0.00 0.00 +0.068 A ATOM 15 C LIG 1 -7.593 0.517 -1.947 0.00 0.00 +0.015 A ATOM 16 C LIG 1 -8.544 0.954 -1.025 0.00 0.00 +0.002 A ATOM 17 C LIG 1 -8.280 0.898 0.359 0.00 0.00 +0.017 A BRANCH 7 21 ATOM 18 N LIG 1 -5.630 -0.017 2.801 0.00 0.00 -0.325 N ATOM 19 H LIG 1 -5.488 0.010 3.803 0.00 0.00 +0.145 HD ATOM 20 H LIG 1 -4.841 -0.241 2.209 0.00 0.00 +0.145 HD ATOM 21 C LIG 1 -6.848 0.377 2.327 0.00 0.00 +0.245 C ATOM 22 O LIG 1 -7.739 0.706 3.101 0.00 0.00 -0.270 OA ENDBRANCH 7 21 ENDBRANCH 1 13 BRANCH 3 23 ATOM 23 C LIG 1 1.494 -1.110 0.717 0.00 0.00 +0.244 C ATOM 24 N LIG 1 2.042 -0.897 -0.532 0.00 0.00 -0.311 N ATOM 25 H LIG 1 1.562 -1.244 -1.351 0.00 0.00 +0.149 HD ATOM 26 O LIG 1 2.119 -0.947 1.760 0.00 0.00 -0.270 OA BRANCH 24 27 ATOM 27 C LIG 1 3.441 -0.534 -0.677 0.00 0.00 +0.112 C BRANCH 27 28 ATOM 28 C LIG 1 3.713 0.920 -0.294 0.00 0.00 +0.093 C BRANCH 28 29 ATOM 29 C LIG 1 5.173 1.206 -0.310 0.00 0.00 +0.110 A ATOM 30 N LIG 1 5.934 1.192 0.834 0.00 0.00 -0.342 N ATOM 31 H LIG 1 5.593 0.997 1.765 0.00 0.00 +0.167 HD ATOM 32 C LIG 1 7.229 1.478 0.491 0.00 0.00 +0.066 A ATOM 33 C LIG 1 7.187 1.657 -0.887 0.00 0.00 +0.089 A ATOM 34 C LIG 1 8.369 1.969 -1.574 0.00 0.00 +0.030 A ATOM 35 C LIG 1 9.558 2.091 -0.843 0.00 0.00 +0.002 A ATOM 36 C LIG 1 9.570 1.905 0.542 0.00 0.00 +0.002 A ATOM 37 C LIG 1 8.400 1.593 1.244 0.00 0.00 +0.028 A ATOM 38 N LIG 1 5.911 1.482 -1.366 0.00 0.00 -0.232 NA ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 3 23 TORSDOF 6