REMARK Name = BDB061197 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.041 0.846 -0.502 0.00 0.00 +0.068 A ATOM 2 C LIG 1 -0.830 0.338 -1.491 0.00 0.00 +0.075 A ATOM 3 C LIG 1 -2.214 0.266 -1.234 0.00 0.00 +0.049 A ATOM 4 C LIG 1 -3.081 -0.422 -2.192 0.00 0.00 +0.144 A ATOM 5 N LIG 1 -2.678 -0.909 -3.321 0.00 0.00 -0.179 NA ATOM 6 N LIG 1 -1.373 -0.733 -3.627 0.00 0.00 -0.243 N ATOM 7 H LIG 1 -1.098 -0.987 -4.572 0.00 0.00 +0.192 HD ATOM 8 C LIG 1 -2.759 0.787 -0.061 0.00 0.00 +0.129 A ATOM 9 N LIG 1 -1.955 1.325 0.862 0.00 0.00 -0.238 NA ATOM 10 C LIG 1 -0.443 -0.058 -2.870 0.00 0.00 +0.274 A ATOM 11 O LIG 1 0.636 0.223 -3.374 0.00 0.00 -0.266 OA ATOM 12 C LIG 1 -0.615 1.340 0.633 0.00 0.00 +0.137 A ENDROOT BRANCH 1 17 ATOM 13 C LIG 1 5.892 -0.649 -0.071 0.00 0.00 -0.033 A ATOM 14 C LIG 1 4.737 -0.887 -0.837 0.00 0.00 +0.010 A ATOM 15 C LIG 1 3.608 -0.123 -0.587 0.00 0.00 -0.017 A ATOM 16 C LIG 1 2.283 -0.123 -1.279 0.00 0.00 +0.150 C ATOM 17 N LIG 1 1.480 0.809 -0.496 0.00 0.00 -0.261 N ATOM 18 C LIG 1 2.292 1.468 0.446 0.00 0.00 +0.251 C ATOM 19 O LIG 1 2.022 2.363 1.227 0.00 0.00 -0.270 OA ATOM 20 C LIG 1 3.624 0.859 0.390 0.00 0.00 +0.042 A ATOM 21 C LIG 1 4.737 1.122 1.165 0.00 0.00 +0.014 A ATOM 22 C LIG 1 5.880 0.357 0.926 0.00 0.00 +0.005 A BRANCH 13 23 ATOM 23 C LIG 1 7.149 -1.468 -0.302 0.00 0.00 +0.119 C BRANCH 23 25 ATOM 24 C LIG 1 9.532 -1.461 -0.630 0.00 0.00 +0.104 C ATOM 25 N LIG 1 8.313 -0.651 -0.685 0.00 0.00 -0.304 NA ATOM 26 C LIG 1 8.154 -0.084 -2.027 0.00 0.00 +0.104 C ENDBRANCH 23 25 ENDBRANCH 13 23 ENDBRANCH 1 17 BRANCH 8 27 ATOM 27 N LIG 1 -4.138 0.738 0.190 0.00 0.00 -0.324 N ATOM 28 H LIG 1 -4.638 1.207 -0.562 0.00 0.00 +0.148 HD BRANCH 27 29 ATOM 29 C LIG 1 -4.549 1.300 1.477 0.00 0.00 +0.141 C BRANCH 29 30 ATOM 30 C LIG 1 -6.030 1.095 1.640 0.00 0.00 +0.012 A ATOM 31 C LIG 1 -6.578 -0.147 1.947 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -5.911 -1.439 2.234 0.00 0.00 +0.080 C ATOM 33 C LIG 1 -7.127 -2.364 2.180 0.00 0.00 +0.234 C ATOM 34 O LIG 1 -8.324 -1.587 2.417 0.00 0.00 -0.491 OA ATOM 35 C LIG 1 -7.950 -0.308 2.098 0.00 0.00 +0.124 A ATOM 36 C LIG 1 -8.835 0.740 1.951 0.00 0.00 +0.049 A ATOM 37 C LIG 1 -8.311 1.991 1.625 0.00 0.00 +0.042 A ATOM 38 C LIG 1 -6.927 2.156 1.469 0.00 0.00 +0.129 A ATOM 39 F LIG 1 -6.463 3.373 1.147 0.00 0.00 -0.205 F ENDBRANCH 29 30 ENDBRANCH 27 29 ENDBRANCH 8 27 TORSDOF 6