REMARK Name = BDB038384 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.531 0.648 0.378 0.00 0.00 -0.029 A ATOM 2 C LIG 1 3.190 1.381 -0.789 0.00 0.00 +0.018 A ATOM 3 C LIG 1 1.870 1.435 -1.278 0.00 0.00 +0.061 A ATOM 4 C LIG 1 0.900 0.733 -0.569 0.00 0.00 -0.006 A ATOM 5 C LIG 1 -0.564 0.594 -0.832 0.00 0.00 +0.151 C ATOM 6 N LIG 1 -1.022 -0.252 0.252 0.00 0.00 -0.248 N ATOM 7 C LIG 1 0.020 -0.616 1.106 0.00 0.00 +0.253 C ATOM 8 O LIG 1 0.053 -1.297 2.113 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 1.235 0.015 0.574 0.00 0.00 +0.043 A ATOM 10 C LIG 1 2.526 -0.046 1.067 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -2.362 -0.672 0.395 0.00 0.00 +0.129 A ATOM 12 N LIG 1 -2.675 -1.490 1.415 0.00 0.00 -0.236 NA ATOM 13 C LIG 1 -3.942 -1.942 1.574 0.00 0.00 +0.047 A ATOM 14 C LIG 1 -4.950 -1.545 0.703 0.00 0.00 +0.032 A ATOM 15 C LIG 1 -4.667 -0.665 -0.344 0.00 0.00 -0.012 A ATOM 16 C LIG 1 -3.340 -0.242 -0.497 0.00 0.00 +0.052 A BRANCH 15 17 ATOM 17 C LIG 1 -5.725 -0.193 -1.261 0.00 0.00 -0.007 A ATOM 18 C LIG 1 -6.906 0.452 -0.816 0.00 0.00 +0.027 A ATOM 19 C LIG 1 -7.887 0.834 -1.749 0.00 0.00 +0.012 A ATOM 20 C LIG 1 -7.705 0.613 -3.113 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -6.545 -0.005 -3.562 0.00 0.00 +0.001 A ATOM 22 C LIG 1 -5.570 -0.406 -2.647 0.00 0.00 +0.009 A BRANCH 18 23 ATOM 23 C LIG 1 -7.184 0.725 0.594 0.00 0.00 +0.164 A ATOM 24 N LIG 1 -6.493 1.581 1.416 0.00 0.00 -0.317 N ATOM 25 C LIG 1 -5.391 2.444 1.088 0.00 0.00 +0.152 C ATOM 26 C LIG 1 -7.087 1.503 2.639 0.00 0.00 +0.225 A ATOM 27 N LIG 1 -8.103 0.677 2.581 0.00 0.00 -0.138 NA ATOM 28 N LIG 1 -8.174 0.200 1.294 0.00 0.00 -0.129 NA ENDBRANCH 18 23 ENDBRANCH 15 17 BRANCH 13 29 ATOM 29 C LIG 1 -4.246 -2.869 2.727 0.00 0.00 +0.038 C ATOM 30 C LIG 1 -3.225 -3.891 3.172 0.00 0.00 +0.010 C ATOM 31 C LIG 1 -4.468 -4.341 2.465 0.00 0.00 +0.010 C ENDBRANCH 13 29 ENDBRANCH 6 11 BRANCH 3 32 ATOM 32 C LIG 1 1.514 2.208 -2.518 0.00 0.00 +0.418 C ATOM 33 F LIG 1 2.553 2.891 -3.066 0.00 0.00 -0.166 F ATOM 34 F LIG 1 0.537 3.128 -2.283 0.00 0.00 -0.166 F ATOM 35 F LIG 1 1.027 1.402 -3.502 0.00 0.00 -0.166 F ENDBRANCH 3 32 BRANCH 1 37 ATOM 36 C LIG 1 5.375 1.996 1.394 0.00 0.00 +0.029 C ATOM 37 C LIG 1 4.969 0.607 0.889 0.00 0.00 +0.081 C BRANCH 37 38 ATOM 38 N LIG 1 5.855 0.122 -0.184 0.00 0.00 -0.307 NA ATOM 39 H LIG 1 5.420 -0.721 -0.569 0.00 0.00 +0.123 HD BRANCH 38 40 ATOM 40 C LIG 1 7.174 -0.301 0.328 0.00 0.00 +0.116 C BRANCH 40 41 ATOM 41 C LIG 1 8.116 -0.637 -0.847 0.00 0.00 +0.079 C ATOM 42 C LIG 1 8.865 0.582 -1.464 0.00 0.00 +0.036 C ATOM 43 C LIG 1 10.055 0.264 -0.544 0.00 0.00 +0.006 C ATOM 44 C LIG 1 9.513 -1.171 -0.421 0.00 0.00 +0.036 C BRANCH 41 45 ATOM 45 O LIG 1 7.425 -1.466 -1.815 0.00 0.00 -0.387 OA ATOM 46 H LIG 1 6.754 -0.863 -2.183 0.00 0.00 +0.210 HD ENDBRANCH 41 45 ENDBRANCH 40 41 ENDBRANCH 38 40 ENDBRANCH 37 38 ENDBRANCH 1 37 TORSDOF 10