REMARK Name = BDB030491 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.173 1.037 -0.445 0.00 0.00 +0.160 A ATOM 2 C LIG 1 1.115 0.532 -1.337 0.00 0.00 +0.203 A ATOM 3 F LIG 1 0.708 -0.230 -2.368 0.00 0.00 -0.198 F ATOM 4 C LIG 1 2.452 0.881 -1.165 0.00 0.00 +0.163 A ATOM 5 N LIG 1 2.804 1.717 -0.161 0.00 0.00 -0.218 NA ATOM 6 C LIG 1 1.833 2.138 0.661 0.00 0.00 +0.225 A ATOM 7 N LIG 1 0.532 1.832 0.578 0.00 0.00 -0.218 NA ENDROOT BRANCH 1 8 ATOM 8 N LIG 1 -1.171 0.637 -0.578 0.00 0.00 -0.324 N ATOM 9 H LIG 1 -1.442 0.624 -1.563 0.00 0.00 +0.148 HD BRANCH 8 10 ATOM 10 C LIG 1 -2.133 1.389 0.232 0.00 0.00 +0.137 C BRANCH 10 14 ATOM 11 N LIG 1 -5.746 -0.082 1.558 0.00 0.00 -0.294 NA ATOM 12 C LIG 1 -5.346 -0.695 0.277 0.00 0.00 +0.088 C ATOM 13 C LIG 1 -3.868 -0.461 -0.022 0.00 0.00 +0.051 C ATOM 14 C LIG 1 -3.581 1.041 -0.212 0.00 0.00 +0.084 C ATOM 15 C LIG 1 -4.614 1.910 0.530 0.00 0.00 +0.051 C ATOM 16 C LIG 1 -5.107 1.225 1.802 0.00 0.00 +0.088 C BRANCH 14 17 ATOM 17 O LIG 1 -3.698 1.338 -1.621 0.00 0.00 -0.387 OA ATOM 18 H LIG 1 -3.551 2.294 -1.740 0.00 0.00 +0.210 HD ENDBRANCH 14 17 BRANCH 11 19 ATOM 19 C LIG 1 -7.229 0.006 1.620 0.00 0.00 +0.180 C BRANCH 19 23 ATOM 20 N LIG 1 -6.981 -0.479 4.003 0.00 0.00 -0.328 N ATOM 21 H LIG 1 -6.051 -0.784 3.736 0.00 0.00 +0.145 HD ATOM 22 H LIG 1 -7.190 -0.300 4.975 0.00 0.00 +0.145 HD ATOM 23 C LIG 1 -7.710 0.193 3.061 0.00 0.00 +0.225 C ATOM 24 O LIG 1 -8.702 0.847 3.365 0.00 0.00 -0.275 OA ENDBRANCH 19 23 ENDBRANCH 11 19 ENDBRANCH 10 14 ENDBRANCH 8 10 ENDBRANCH 1 8 BRANCH 4 25 ATOM 25 N LIG 1 3.460 0.435 -2.054 0.00 0.00 -0.305 N BRANCH 25 26 ATOM 26 C LIG 1 4.771 1.115 -1.989 0.00 0.00 +0.075 C ATOM 27 C LIG 1 5.620 1.292 -3.220 0.00 0.00 +0.024 C ATOM 28 C LIG 1 4.957 2.482 -2.594 0.00 0.00 +0.024 C ENDBRANCH 25 26 BRANCH 25 29 ATOM 29 C LIG 1 3.496 -1.010 -2.337 0.00 0.00 +0.142 C BRANCH 29 30 ATOM 30 C LIG 1 4.189 -1.816 -1.254 0.00 0.00 -0.030 A ATOM 31 C LIG 1 5.544 -2.159 -1.384 0.00 0.00 +0.006 A ATOM 32 C LIG 1 6.190 -2.898 -0.390 0.00 0.00 +0.013 A ATOM 33 C LIG 1 5.495 -3.313 0.755 0.00 0.00 +0.055 A ATOM 34 C LIG 1 4.143 -2.963 0.889 0.00 0.00 +0.013 A ATOM 35 C LIG 1 3.497 -2.224 -0.105 0.00 0.00 +0.006 A BRANCH 33 36 ATOM 36 C LIG 1 6.185 -4.101 1.841 0.00 0.00 +0.417 C ATOM 37 F LIG 1 6.439 -3.350 2.949 0.00 0.00 -0.166 F ATOM 38 F LIG 1 7.386 -4.618 1.457 0.00 0.00 -0.166 F ATOM 39 F LIG 1 5.447 -5.162 2.272 0.00 0.00 -0.166 F ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 25 29 ENDBRANCH 4 25 TORSDOF 11