REMARK Name = BDB038484 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.394 -0.748 -0.253 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.677 -1.110 -1.075 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.822 -2.056 -1.828 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.720 -0.091 -0.894 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.966 -0.017 -1.488 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.796 1.062 -1.149 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.338 2.028 -0.220 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.065 1.936 0.379 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.265 0.855 0.017 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.113 0.490 0.470 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.903 -1.540 0.844 0.00 0.00 -0.015 A ATOM 12 C LIG 1 -2.631 -0.940 0.736 0.00 0.00 +0.032 A ATOM 13 C LIG 1 -1.631 -1.436 -0.117 0.00 0.00 +0.038 A ATOM 14 C LIG 1 -1.911 -2.606 -0.829 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.150 -3.244 -0.711 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.139 -2.712 0.114 0.00 0.00 +0.008 A BRANCH 11 18 ATOM 17 C LIG 1 -5.353 0.424 1.572 0.00 0.00 +0.027 A ATOM 18 C LIG 1 -4.960 -0.935 1.685 0.00 0.00 -0.007 A ATOM 19 C LIG 1 -5.600 -1.728 2.661 0.00 0.00 +0.009 A ATOM 20 C LIG 1 -6.582 -1.199 3.502 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -6.940 0.140 3.397 0.00 0.00 +0.001 A ATOM 22 C LIG 1 -6.328 0.947 2.439 0.00 0.00 +0.012 A BRANCH 17 25 ATOM 23 C LIG 1 -5.682 0.340 -1.544 0.00 0.00 +0.152 C ATOM 24 N LIG 1 -4.899 1.265 -0.772 0.00 0.00 -0.317 N ATOM 25 C LIG 1 -4.761 1.336 0.592 0.00 0.00 +0.164 A ATOM 26 N LIG 1 -3.966 2.355 0.870 0.00 0.00 -0.129 NA ATOM 27 N LIG 1 -3.553 2.923 -0.312 0.00 0.00 -0.138 NA ATOM 28 C LIG 1 -4.118 2.255 -1.288 0.00 0.00 +0.225 A ENDBRANCH 17 25 ENDBRANCH 11 18 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 1.578 2.979 1.348 0.00 0.00 +0.418 C ATOM 30 F LIG 1 2.552 3.845 1.745 0.00 0.00 -0.166 F ATOM 31 F LIG 1 0.587 3.747 0.822 0.00 0.00 -0.166 F ATOM 32 F LIG 1 1.074 2.437 2.490 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 5.169 1.188 -1.776 0.00 0.00 +0.119 C BRANCH 33 34 ATOM 34 N LIG 1 6.058 0.088 -1.405 0.00 0.00 -0.295 NA ATOM 35 C LIG 1 6.453 0.089 0.009 0.00 0.00 +0.121 C ATOM 36 C LIG 1 7.634 -0.868 0.032 0.00 0.00 +0.181 C ATOM 37 F LIG 1 7.186 -2.153 0.073 0.00 0.00 -0.244 F ATOM 38 C LIG 1 8.335 -0.628 -1.292 0.00 0.00 +0.053 C ATOM 39 C LIG 1 7.307 0.089 -2.168 0.00 0.00 +0.087 C ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 6