REMARK Name = BDB038651 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.990 -0.515 -0.698 0.00 0.00 -0.012 A ATOM 2 C LIG 1 -2.639 -0.185 -0.542 0.00 0.00 +0.052 A ATOM 3 C LIG 1 -1.746 -1.138 -0.072 0.00 0.00 +0.129 A ATOM 4 N LIG 1 -2.148 -2.391 0.237 0.00 0.00 -0.236 NA ATOM 5 C LIG 1 -3.452 -2.736 0.091 0.00 0.00 +0.047 A ATOM 6 C LIG 1 -4.382 -1.820 -0.387 0.00 0.00 +0.032 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -0.382 -0.853 0.117 0.00 0.00 -0.248 N ATOM 8 C LIG 1 0.268 0.360 -0.063 0.00 0.00 +0.253 C ATOM 9 O LIG 1 -0.157 1.450 -0.400 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 1.683 0.128 0.254 0.00 0.00 +0.045 A ATOM 11 C LIG 1 1.830 -1.203 0.621 0.00 0.00 +0.018 A ATOM 12 C LIG 1 3.071 -1.678 0.972 0.00 0.00 +0.129 A ATOM 13 C LIG 1 4.165 -0.814 0.951 0.00 0.00 +0.043 A ATOM 14 C LIG 1 4.015 0.541 0.570 0.00 0.00 -0.030 A ATOM 15 F LIG 1 3.231 -2.957 1.331 0.00 0.00 -0.205 F ATOM 16 C LIG 1 2.742 1.020 0.221 0.00 0.00 +0.018 A ATOM 17 C LIG 1 0.522 -1.906 0.561 0.00 0.00 +0.154 C BRANCH 14 18 ATOM 18 C LIG 1 5.212 1.471 0.563 0.00 0.00 +0.120 C BRANCH 18 19 ATOM 19 N LIG 1 6.330 0.953 -0.239 0.00 0.00 -0.293 NA ATOM 20 C LIG 1 7.562 1.752 -0.010 0.00 0.00 +0.088 C ATOM 21 C LIG 1 7.995 2.324 -1.359 0.00 0.00 +0.137 C ATOM 22 O LIG 1 9.033 1.483 -1.893 0.00 0.00 -0.375 OA ATOM 23 C LIG 1 9.267 0.411 -0.968 0.00 0.00 +0.162 C ATOM 24 C LIG 1 6.752 2.248 -2.216 0.00 0.00 +0.048 C ATOM 25 C LIG 1 8.739 0.880 0.368 0.00 0.00 +0.049 C ATOM 26 C LIG 1 6.051 1.008 -1.688 0.00 0.00 +0.087 C ENDBRANCH 18 19 ENDBRANCH 14 18 ENDBRANCH 3 7 BRANCH 1 28 ATOM 27 C LIG 1 -6.102 0.865 -0.407 0.00 0.00 +0.028 A ATOM 28 C LIG 1 -4.967 0.487 -1.165 0.00 0.00 -0.007 A ATOM 29 C LIG 1 -4.783 1.084 -2.428 0.00 0.00 +0.010 A ATOM 30 C LIG 1 -5.697 2.013 -2.934 0.00 0.00 +0.019 A ATOM 31 C LIG 1 -6.825 2.360 -2.192 0.00 0.00 +0.052 A ATOM 32 C LIG 1 -7.027 1.784 -0.935 0.00 0.00 +0.031 A BRANCH 27 35 ATOM 33 C LIG 1 -4.478 1.366 2.239 0.00 0.00 +0.152 C ATOM 34 N LIG 1 -5.640 0.536 2.062 0.00 0.00 -0.317 N ATOM 35 C LIG 1 -6.376 0.322 0.923 0.00 0.00 +0.164 A ATOM 36 N LIG 1 -7.399 -0.453 1.235 0.00 0.00 -0.129 NA ATOM 37 N LIG 1 -7.309 -0.777 2.568 0.00 0.00 -0.138 NA ATOM 38 C LIG 1 -6.249 -0.176 3.051 0.00 0.00 +0.225 A ENDBRANCH 27 35 BRANCH 31 39 ATOM 39 C LIG 1 -7.769 3.305 -2.712 0.00 0.00 +0.099 C ATOM 40 N LIG 1 -8.524 4.078 -3.135 0.00 0.00 -0.191 NA ENDBRANCH 31 39 ENDBRANCH 1 28 BRANCH 5 41 ATOM 41 C LIG 1 -3.869 -4.141 0.455 0.00 0.00 +0.038 C ATOM 42 C LIG 1 -4.913 -4.372 1.525 0.00 0.00 +0.010 C ATOM 43 C LIG 1 -3.479 -4.712 1.800 0.00 0.00 +0.010 C ENDBRANCH 5 41 TORSDOF 7