REMARK Name = BDB038597 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.472 1.305 0.589 0.00 0.00 +0.129 A ATOM 2 N LIG 1 -2.079 1.566 1.769 0.00 0.00 -0.236 NA ATOM 3 C LIG 1 -3.425 1.452 1.869 0.00 0.00 +0.047 A ATOM 4 C LIG 1 -4.199 1.102 0.766 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -3.589 0.819 -0.457 0.00 0.00 -0.012 A ATOM 6 C LIG 1 -2.196 0.929 -0.533 0.00 0.00 +0.052 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 4.527 1.698 0.021 0.00 0.00 -0.030 A ATOM 8 C LIG 1 3.345 1.468 -0.702 0.00 0.00 +0.018 A ATOM 9 C LIG 1 2.142 1.507 -0.016 0.00 0.00 +0.045 A ATOM 10 C LIG 1 0.779 1.299 -0.524 0.00 0.00 +0.253 C ATOM 11 N LIG 1 -0.071 1.435 0.564 0.00 0.00 -0.248 N ATOM 12 C LIG 1 0.645 1.746 1.793 0.00 0.00 +0.154 C ATOM 13 O LIG 1 0.550 1.073 -1.697 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 2.062 1.770 1.344 0.00 0.00 +0.018 A ATOM 15 C LIG 1 3.211 2.005 2.060 0.00 0.00 +0.129 A ATOM 16 F LIG 1 3.154 2.265 3.371 0.00 0.00 -0.205 F ATOM 17 C LIG 1 4.444 1.973 1.407 0.00 0.00 +0.043 A BRANCH 7 18 ATOM 18 C LIG 1 5.874 1.658 -0.672 0.00 0.00 +0.119 C BRANCH 18 22 ATOM 19 C LIG 1 6.433 -2.709 0.888 0.00 0.00 +0.009 C ATOM 20 C LIG 1 7.453 -1.704 0.344 0.00 0.00 +0.000 C ATOM 21 C LIG 1 6.948 -0.247 0.464 0.00 0.00 +0.088 C ATOM 22 N LIG 1 6.506 0.343 -0.804 0.00 0.00 -0.298 NA ATOM 23 C LIG 1 5.790 -0.599 -1.654 0.00 0.00 +0.085 C ATOM 24 C LIG 1 6.711 -1.744 -2.090 0.00 0.00 +0.016 C ATOM 25 C LIG 1 7.841 -2.034 -1.100 0.00 0.00 +0.006 C ENDBRANCH 18 22 ENDBRANCH 7 18 ENDBRANCH 1 11 BRANCH 5 26 ATOM 26 C LIG 1 -4.380 0.425 -1.640 0.00 0.00 -0.007 A ATOM 27 C LIG 1 -5.151 -0.761 -1.695 0.00 0.00 +0.028 A ATOM 28 C LIG 1 -5.862 -1.077 -2.869 0.00 0.00 +0.031 A ATOM 29 C LIG 1 -5.833 -0.226 -3.978 0.00 0.00 +0.052 A ATOM 30 C LIG 1 -5.085 0.949 -3.926 0.00 0.00 +0.019 A ATOM 31 C LIG 1 -4.365 1.266 -2.771 0.00 0.00 +0.010 A BRANCH 27 32 ATOM 32 C LIG 1 -5.201 -1.703 -0.576 0.00 0.00 +0.164 A ATOM 33 N LIG 1 -6.322 -2.033 0.149 0.00 0.00 -0.317 N ATOM 34 C LIG 1 -7.653 -1.510 -0.002 0.00 0.00 +0.152 C ATOM 35 C LIG 1 -5.923 -2.932 1.089 0.00 0.00 +0.225 A ATOM 36 N LIG 1 -4.636 -3.149 0.967 0.00 0.00 -0.138 NA ATOM 37 N LIG 1 -4.181 -2.375 -0.075 0.00 0.00 -0.129 NA ENDBRANCH 27 32 BRANCH 29 38 ATOM 38 C LIG 1 -6.570 -0.562 -5.160 0.00 0.00 +0.099 C ATOM 39 N LIG 1 -7.186 -0.833 -6.106 0.00 0.00 -0.191 NA ENDBRANCH 29 38 ENDBRANCH 5 26 BRANCH 3 40 ATOM 40 C LIG 1 -4.074 1.728 3.205 0.00 0.00 +0.038 C ATOM 41 C LIG 1 -3.482 1.137 4.465 0.00 0.00 +0.010 C ATOM 42 C LIG 1 -4.785 0.613 3.941 0.00 0.00 +0.010 C ENDBRANCH 3 40 TORSDOF 7