REMARK Name = BDB038757 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.719 0.483 -0.961 0.00 0.00 -0.012 A ATOM 2 C LIG 1 -2.425 0.884 -0.608 0.00 0.00 +0.052 A ATOM 3 C LIG 1 -1.327 0.143 -1.033 0.00 0.00 +0.129 A ATOM 4 N LIG 1 -1.494 -0.961 -1.781 0.00 0.00 -0.236 NA ATOM 5 C LIG 1 -2.728 -1.370 -2.165 0.00 0.00 +0.047 A ATOM 6 C LIG 1 -3.850 -0.647 -1.773 0.00 0.00 +0.032 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -0.017 0.530 -0.680 0.00 0.00 -0.248 N ATOM 8 C LIG 1 1.140 -0.176 -1.020 0.00 0.00 +0.253 C ATOM 9 O LIG 1 1.310 -1.218 -1.625 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 2.272 0.594 -0.485 0.00 0.00 +0.045 A ATOM 11 C LIG 1 1.768 1.723 0.144 0.00 0.00 +0.018 A ATOM 12 C LIG 1 2.630 2.620 0.730 0.00 0.00 +0.129 A ATOM 13 C LIG 1 4.004 2.385 0.683 0.00 0.00 +0.043 A ATOM 14 C LIG 1 4.516 1.232 0.046 0.00 0.00 -0.030 A ATOM 15 F LIG 1 2.155 3.712 1.340 0.00 0.00 -0.205 F ATOM 16 C LIG 1 3.627 0.321 -0.549 0.00 0.00 +0.018 A ATOM 17 C LIG 1 0.287 1.742 0.060 0.00 0.00 +0.154 C BRANCH 14 18 ATOM 18 C LIG 1 6.010 0.977 -0.000 0.00 0.00 +0.120 C BRANCH 18 19 ATOM 19 N LIG 1 6.386 -0.258 0.706 0.00 0.00 -0.293 NA ATOM 20 C LIG 1 7.789 -0.644 0.414 0.00 0.00 +0.088 C ATOM 21 C LIG 1 8.631 0.163 1.401 0.00 0.00 +0.023 C ATOM 22 C LIG 1 7.713 0.427 2.587 0.00 0.00 +0.017 C ATOM 23 C LIG 1 6.344 -0.092 2.170 0.00 0.00 +0.085 C BRANCH 20 24 ATOM 24 C LIG 1 8.023 -2.159 0.574 0.00 0.00 +0.232 C ATOM 25 F LIG 1 7.936 -2.532 1.879 0.00 0.00 -0.247 F ENDBRANCH 20 24 ENDBRANCH 18 19 ENDBRANCH 14 18 ENDBRANCH 3 7 BRANCH 1 27 ATOM 26 C LIG 1 -5.970 0.611 0.227 0.00 0.00 +0.028 A ATOM 27 C LIG 1 -4.904 1.225 -0.478 0.00 0.00 -0.007 A ATOM 28 C LIG 1 -4.995 2.607 -0.745 0.00 0.00 +0.010 A ATOM 29 C LIG 1 -6.102 3.358 -0.338 0.00 0.00 +0.019 A ATOM 30 C LIG 1 -7.152 2.743 0.341 0.00 0.00 +0.052 A ATOM 31 C LIG 1 -7.087 1.375 0.616 0.00 0.00 +0.031 A BRANCH 26 34 ATOM 32 C LIG 1 -4.053 -0.999 2.155 0.00 0.00 +0.152 C ATOM 33 N LIG 1 -5.142 -1.506 1.364 0.00 0.00 -0.317 N ATOM 34 C LIG 1 -6.001 -0.818 0.543 0.00 0.00 +0.164 A ATOM 35 N LIG 1 -6.897 -1.673 0.082 0.00 0.00 -0.129 NA ATOM 36 N LIG 1 -6.597 -2.924 0.564 0.00 0.00 -0.138 NA ATOM 37 C LIG 1 -5.539 -2.808 1.330 0.00 0.00 +0.225 A ENDBRANCH 26 34 BRANCH 30 38 ATOM 38 C LIG 1 -8.291 3.510 0.754 0.00 0.00 +0.099 C ATOM 39 N LIG 1 -9.203 4.141 1.095 0.00 0.00 -0.191 NA ENDBRANCH 30 38 ENDBRANCH 1 27 BRANCH 5 40 ATOM 40 C LIG 1 -2.796 -2.631 -3.003 0.00 0.00 +0.038 C ATOM 41 C LIG 1 -3.833 -2.823 -4.083 0.00 0.00 +0.010 C ATOM 42 C LIG 1 -3.907 -3.639 -2.824 0.00 0.00 +0.010 C ENDBRANCH 5 40 TORSDOF 8