REMARK Name = BDB024332 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.699 0.354 -1.675 0.00 0.00 +0.240 C ATOM 2 N LIG 1 -0.398 0.509 -2.030 0.00 0.00 -0.269 N ATOM 3 H LIG 1 -0.291 0.749 -3.008 0.00 0.00 +0.156 HD ATOM 4 O LIG 1 -2.543 0.705 -2.517 0.00 0.00 -0.273 OA ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 0.836 0.396 -1.404 0.00 0.00 +0.125 A ATOM 6 N LIG 1 1.859 0.452 -2.275 0.00 0.00 -0.238 NA ATOM 7 C LIG 1 3.122 0.352 -1.782 0.00 0.00 +0.136 A ATOM 8 C LIG 1 3.468 0.232 -0.434 0.00 0.00 +0.049 A ATOM 9 C LIG 1 2.373 0.200 0.431 0.00 0.00 +0.028 A ATOM 10 C LIG 1 1.057 0.294 -0.046 0.00 0.00 +0.045 A BRANCH 8 11 ATOM 11 N LIG 1 4.799 0.126 -0.008 0.00 0.00 -0.318 N ATOM 12 C LIG 1 5.730 1.109 -0.626 0.00 0.00 +0.201 C ATOM 13 C LIG 1 7.175 1.113 -0.084 0.00 0.00 +0.233 C ATOM 14 O LIG 1 8.045 1.781 -0.649 0.00 0.00 -0.274 OA ATOM 15 N LIG 1 7.456 0.411 1.083 0.00 0.00 -0.290 N ATOM 16 C LIG 1 6.532 -0.620 1.538 0.00 0.00 +0.127 C ATOM 17 C LIG 1 5.072 -0.186 1.398 0.00 0.00 +0.124 C BRANCH 15 18 ATOM 18 C LIG 1 8.866 0.306 1.501 0.00 0.00 +0.221 C BRANCH 18 19 ATOM 19 C LIG 1 9.673 -0.812 0.836 0.00 0.00 +0.405 C ATOM 20 F LIG 1 9.646 -0.750 -0.510 0.00 0.00 -0.169 F ATOM 21 F LIG 1 9.193 -2.026 1.200 0.00 0.00 -0.169 F ATOM 22 F LIG 1 10.967 -0.763 1.227 0.00 0.00 -0.169 F ENDBRANCH 18 19 ENDBRANCH 15 18 ENDBRANCH 8 11 ENDBRANCH 2 5 BRANCH 1 23 ATOM 23 C LIG 1 -2.163 -0.212 -0.300 0.00 0.00 +0.171 C BRANCH 23 24 ATOM 24 C LIG 1 -1.664 -1.622 -0.021 0.00 0.00 -0.022 A ATOM 25 C LIG 1 -1.633 -2.601 -1.028 0.00 0.00 +0.005 A ATOM 26 C LIG 1 -1.182 -3.893 -0.753 0.00 0.00 +0.000 A ATOM 27 C LIG 1 -0.773 -4.233 0.534 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -0.826 -3.284 1.552 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -1.275 -1.990 1.279 0.00 0.00 +0.005 A ENDBRANCH 23 24 BRANCH 23 30 ATOM 30 N LIG 1 -3.649 -0.218 -0.282 0.00 0.00 -0.301 NA ATOM 31 H LIG 1 -3.964 0.437 -1.007 0.00 0.00 +0.123 HD BRANCH 30 32 ATOM 32 C LIG 1 -4.211 0.170 1.012 0.00 0.00 +0.089 C BRANCH 32 34 ATOM 33 C LIG 1 -6.309 -1.270 0.736 0.00 0.00 +0.014 C ATOM 34 C LIG 1 -5.760 0.129 1.047 0.00 0.00 +0.030 C BRANCH 34 35 ATOM 35 C LIG 1 -6.384 1.233 0.201 0.00 0.00 -0.043 A ATOM 36 C LIG 1 -6.621 1.079 -1.174 0.00 0.00 +0.005 A ATOM 37 C LIG 1 -7.176 2.119 -1.925 0.00 0.00 +0.019 A ATOM 38 C LIG 1 -7.503 3.331 -1.314 0.00 0.00 +0.052 A ATOM 39 C LIG 1 -7.269 3.499 0.053 0.00 0.00 +0.019 A ATOM 40 C LIG 1 -6.711 2.459 0.803 0.00 0.00 +0.005 A BRANCH 38 41 ATOM 41 C LIG 1 -8.074 4.398 -2.083 0.00 0.00 +0.099 C ATOM 42 N LIG 1 -8.538 5.265 -2.699 0.00 0.00 -0.191 NA ENDBRANCH 38 41 ENDBRANCH 34 35 ENDBRANCH 32 34 ENDBRANCH 30 32 ENDBRANCH 23 30 ENDBRANCH 1 23 TORSDOF 11