REMARK Name = BDB035516 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.443 0.606 -0.453 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.703 1.384 -0.654 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.849 2.587 -0.763 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.842 0.461 -0.719 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -3.182 0.753 -0.901 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -4.089 -0.315 -0.923 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -3.615 -1.638 -0.749 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -2.247 -1.919 -0.566 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -1.372 -0.837 -0.556 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.112 -0.811 -0.381 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 4.189 0.601 -0.008 0.00 0.00 -0.032 A ATOM 12 C LIG 1 2.844 0.183 -0.118 0.00 0.00 +0.028 A ATOM 13 C LIG 1 1.780 1.080 -0.340 0.00 0.00 +0.037 A ATOM 14 C LIG 1 2.090 2.438 -0.442 0.00 0.00 +0.023 A ATOM 15 C LIG 1 3.407 2.886 -0.326 0.00 0.00 +0.002 A ATOM 16 C LIG 1 4.439 1.977 -0.110 0.00 0.00 +0.005 A BRANCH 11 18 ATOM 17 C LIG 1 6.241 -0.826 -0.901 0.00 0.00 +0.034 C ATOM 18 C LIG 1 5.330 -0.374 0.244 0.00 0.00 +0.061 C ATOM 19 C LIG 1 5.272 -1.796 -0.284 0.00 0.00 +0.026 C BRANCH 18 20 ATOM 20 C LIG 1 6.035 -0.162 1.638 0.00 0.00 +0.144 A ATOM 21 N LIG 1 5.519 -0.425 2.874 0.00 0.00 -0.320 N ATOM 22 C LIG 1 4.223 -0.957 3.184 0.00 0.00 +0.151 C ATOM 23 C LIG 1 6.480 -0.064 3.767 0.00 0.00 +0.224 A ATOM 24 N LIG 1 7.527 0.397 3.122 0.00 0.00 -0.138 NA ATOM 25 N LIG 1 7.245 0.340 1.776 0.00 0.00 -0.134 NA ENDBRANCH 18 20 BRANCH 17 26 ATOM 26 C LIG 1 6.052 -0.411 -2.327 0.00 0.00 +0.164 C BRANCH 26 28 ATOM 27 C LIG 1 7.388 1.551 -2.367 0.00 0.00 +0.193 C ATOM 28 O LIG 1 7.231 0.217 -2.832 0.00 0.00 -0.383 OA ENDBRANCH 26 28 ENDBRANCH 17 26 ENDBRANCH 11 18 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 -1.743 -3.323 -0.375 0.00 0.00 +0.418 C ATOM 30 F LIG 1 -2.710 -4.275 -0.440 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -1.128 -3.486 0.830 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -0.812 -3.664 -1.309 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 -5.571 -0.059 -1.097 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 -6.266 -0.244 0.177 0.00 0.00 -0.307 NA ATOM 35 H LIG 1 -5.765 0.282 0.894 0.00 0.00 +0.123 HD BRANCH 34 36 ATOM 36 C LIG 1 -7.706 0.076 0.091 0.00 0.00 +0.017 C ATOM 37 C LIG 1 -8.277 -0.010 1.538 0.00 0.00 +0.022 C ATOM 38 C LIG 1 -7.996 1.496 1.709 0.00 0.00 +0.004 C ATOM 39 C LIG 1 -7.924 1.613 0.174 0.00 0.00 +0.022 C ATOM 40 C LIG 1 -8.482 -0.718 -0.940 0.00 0.00 +0.027 C ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 9