REMARK Name = BDB042886 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.508 1.141 1.498 0.00 0.00 +0.261 A ATOM 2 C LIG 1 1.818 -0.053 1.235 0.00 0.00 +0.096 A ATOM 3 C LIG 1 1.785 -0.981 2.279 0.00 0.00 +0.050 A ATOM 4 C LIG 1 2.402 -0.674 3.478 0.00 0.00 +0.137 A ATOM 5 N LIG 1 3.023 0.499 3.702 0.00 0.00 -0.154 NA ATOM 6 N LIG 1 3.065 1.420 2.704 0.00 0.00 -0.109 NA ENDROOT BRANCH 2 7 ATOM 7 N LIG 1 1.169 -0.290 0.014 0.00 0.00 -0.325 N ATOM 8 C LIG 1 -0.307 -0.252 0.071 0.00 0.00 +0.114 C ATOM 9 C LIG 1 -0.761 -1.354 -0.896 0.00 0.00 +0.013 C ATOM 10 C LIG 1 -2.120 -1.136 -1.617 0.00 0.00 +0.094 C ATOM 11 N LIG 1 -2.745 -1.889 -0.526 0.00 0.00 -0.298 NA ATOM 12 C LIG 1 -1.480 -2.561 -0.212 0.00 0.00 +0.094 C ATOM 13 C LIG 1 0.466 -1.692 -1.730 0.00 0.00 +0.030 C ATOM 14 C LIG 1 1.595 -1.490 -0.722 0.00 0.00 +0.106 C BRANCH 11 15 ATOM 15 C LIG 1 -3.898 -2.726 -0.881 0.00 0.00 +0.059 C BRANCH 15 16 ATOM 16 C LIG 1 -3.683 -4.113 -1.593 0.00 0.00 -0.000 C ATOM 17 C LIG 1 -2.985 -4.015 -2.954 0.00 0.00 +0.009 C ATOM 18 C LIG 1 -5.014 -4.855 -1.818 0.00 0.00 +0.009 C ENDBRANCH 15 16 BRANCH 15 19 ATOM 19 C LIG 1 -4.705 -2.914 0.440 0.00 0.00 +0.020 C BRANCH 19 20 ATOM 20 C LIG 1 -4.955 -1.656 1.295 0.00 0.00 +0.017 C BRANCH 20 21 ATOM 21 C LIG 1 -5.671 -0.532 0.534 0.00 0.00 +0.084 C BRANCH 21 22 ATOM 22 N LIG 1 -5.920 0.644 1.391 0.00 0.00 -0.303 NA ATOM 23 C LIG 1 -7.067 0.414 2.276 0.00 0.00 +0.105 C BRANCH 22 24 ATOM 24 C LIG 1 -6.163 1.854 0.577 0.00 0.00 +0.112 C BRANCH 24 25 ATOM 25 C LIG 1 -4.877 2.467 0.001 0.00 0.00 +0.174 C BRANCH 25 26 ATOM 26 O LIG 1 -5.218 3.647 -0.734 0.00 0.00 -0.382 OA ATOM 27 C LIG 1 -4.060 4.297 -1.241 0.00 0.00 +0.194 C ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 22 24 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 15 19 ENDBRANCH 11 15 ENDBRANCH 2 7 BRANCH 1 28 ATOM 28 O LIG 1 2.605 2.174 0.590 0.00 0.00 -0.435 OA BRANCH 28 30 ATOM 29 C LIG 1 4.264 1.183 -0.955 0.00 0.00 +0.082 A ATOM 30 C LIG 1 3.091 1.898 -0.666 0.00 0.00 +0.143 A ATOM 31 C LIG 1 2.356 2.457 -1.720 0.00 0.00 +0.050 A ATOM 32 C LIG 1 2.754 2.258 -3.043 0.00 0.00 +0.042 A ATOM 33 C LIG 1 3.895 1.510 -3.311 0.00 0.00 +0.124 A ATOM 34 F LIG 1 4.270 1.315 -4.581 0.00 0.00 -0.205 F ATOM 35 C LIG 1 4.656 0.970 -2.283 0.00 0.00 +0.055 A BRANCH 29 37 ATOM 36 N LIG 1 6.019 1.401 0.779 0.00 0.00 -0.295 N ATOM 37 C LIG 1 5.120 0.589 0.083 0.00 0.00 +0.250 C ATOM 38 O LIG 1 5.014 -0.626 0.247 0.00 0.00 -0.270 OA BRANCH 36 39 ATOM 39 C LIG 1 6.248 2.837 0.496 0.00 0.00 +0.070 C ATOM 40 C LIG 1 7.721 3.146 0.224 0.00 0.00 +0.028 C ATOM 41 C LIG 1 5.701 3.739 1.604 0.00 0.00 +0.028 C ENDBRANCH 36 39 BRANCH 36 43 ATOM 42 C LIG 1 7.925 -0.068 1.420 0.00 0.00 +0.024 C ATOM 43 C LIG 1 6.742 0.769 1.887 0.00 0.00 +0.105 C ENDBRANCH 36 43 ENDBRANCH 29 37 ENDBRANCH 28 30 ENDBRANCH 1 28 TORSDOF 15