REMARK Name = BDB060158 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.016 0.498 -0.757 0.00 0.00 -0.314 N ATOM 2 C LIG 1 0.876 -0.488 -1.219 0.00 0.00 +0.036 A ATOM 3 C LIG 1 1.146 -0.848 -2.530 0.00 0.00 +0.023 A ATOM 4 C LIG 1 2.059 -1.876 -2.779 0.00 0.00 +0.004 A ATOM 5 C LIG 1 2.715 -2.521 -1.721 0.00 0.00 +0.025 A ATOM 6 C LIG 1 2.494 -2.120 -0.401 0.00 0.00 +0.057 A ATOM 7 C LIG 1 1.554 -1.125 -0.171 0.00 0.00 -0.002 A ATOM 8 C LIG 1 1.115 -0.535 1.126 0.00 0.00 +0.058 C ATOM 9 C LIG 1 -0.152 0.213 0.685 0.00 0.00 +0.111 C ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 -1.206 0.829 -1.563 0.00 0.00 +0.192 C BRANCH 10 11 ATOM 11 C LIG 1 -1.941 2.032 -0.975 0.00 0.00 -0.015 A ATOM 12 C LIG 1 -1.497 3.328 -1.293 0.00 0.00 +0.051 A ATOM 13 C LIG 1 -2.142 4.463 -0.792 0.00 0.00 +0.120 A ATOM 14 C LIG 1 -3.242 4.308 0.050 0.00 0.00 +0.045 A ATOM 15 C LIG 1 -3.683 3.028 0.395 0.00 0.00 +0.004 A ATOM 16 C LIG 1 -3.036 1.899 -0.106 0.00 0.00 +0.006 A BRANCH 13 17 ATOM 17 O LIG 1 -1.604 5.651 -1.203 0.00 0.00 -0.495 OA ATOM 18 C LIG 1 -2.190 6.838 -0.683 0.00 0.00 +0.277 C ENDBRANCH 13 17 ENDBRANCH 10 11 BRANCH 10 21 ATOM 19 N LIG 1 -2.938 -0.234 -3.002 0.00 0.00 -0.184 N ATOM 20 H LIG 1 -2.875 0.598 -3.581 0.00 0.00 +0.177 HD ATOM 21 C LIG 1 -2.170 -0.366 -1.825 0.00 0.00 +0.257 C ATOM 22 O LIG 1 -2.320 -1.310 -1.060 0.00 0.00 -0.272 OA BRANCH 19 23 ATOM 23 S LIG 1 -4.215 -1.210 -3.413 0.00 0.00 +0.074 S ATOM 24 O LIG 1 -4.832 -0.569 -4.556 0.00 0.00 -0.150 OA ATOM 25 O LIG 1 -3.769 -2.582 -3.480 0.00 0.00 -0.150 OA BRANCH 23 29 ATOM 26 C LIG 1 -7.054 -0.685 0.128 0.00 0.00 +0.120 A ATOM 27 C LIG 1 -6.977 0.291 -0.871 0.00 0.00 +0.047 A ATOM 28 C LIG 1 -6.118 0.132 -1.960 0.00 0.00 +0.032 A ATOM 29 C LIG 1 -5.319 -1.010 -2.038 0.00 0.00 +0.109 A ATOM 30 C LIG 1 -5.396 -1.999 -1.054 0.00 0.00 +0.032 A ATOM 31 C LIG 1 -6.261 -1.831 0.032 0.00 0.00 +0.047 A BRANCH 26 33 ATOM 32 C LIG 1 -8.113 -1.397 2.135 0.00 0.00 +0.277 C ATOM 33 O LIG 1 -7.930 -0.398 1.138 0.00 0.00 -0.495 OA ENDBRANCH 26 33 ENDBRANCH 23 29 ENDBRANCH 19 23 ENDBRANCH 10 21 ENDBRANCH 1 10 BRANCH 6 34 ATOM 34 N LIG 1 3.100 -2.787 0.726 0.00 0.00 -0.192 N BRANCH 34 35 ATOM 35 S LIG 1 4.818 -2.712 0.823 0.00 0.00 +0.076 S ATOM 36 O LIG 1 5.347 -3.356 -0.362 0.00 0.00 -0.150 OA ATOM 37 O LIG 1 5.222 -3.219 2.119 0.00 0.00 -0.150 OA BRANCH 35 38 ATOM 38 C LIG 1 5.174 -0.941 0.798 0.00 0.00 +0.115 A ATOM 39 C LIG 1 4.850 -0.161 1.940 0.00 0.00 -0.023 A ATOM 40 C LIG 1 4.244 -0.722 3.199 0.00 0.00 +0.046 C ATOM 41 C LIG 1 5.137 1.217 1.935 0.00 0.00 +0.008 A ATOM 42 C LIG 1 5.736 1.832 0.837 0.00 0.00 -0.050 A ATOM 43 C LIG 1 6.002 3.308 0.835 0.00 0.00 +0.044 C ATOM 44 C LIG 1 6.051 1.057 -0.280 0.00 0.00 +0.008 A ATOM 45 C LIG 1 5.795 -0.328 -0.319 0.00 0.00 -0.023 A ATOM 46 C LIG 1 6.233 -1.054 -1.562 0.00 0.00 +0.046 C ENDBRANCH 35 38 ENDBRANCH 34 35 BRANCH 34 47 ATOM 47 C LIG 1 2.572 -4.168 0.946 0.00 0.00 +0.251 C BRANCH 47 48 ATOM 48 C LIG 1 2.747 -4.688 2.350 0.00 0.00 +0.324 C ATOM 49 O LIG 1 3.047 -5.833 2.654 0.00 0.00 -0.249 OA BRANCH 48 50 ATOM 50 O LIG 1 2.455 -3.789 3.313 0.00 0.00 -0.479 OA ATOM 51 H LIG 1 2.686 -4.260 4.141 0.00 0.00 +0.295 HD ENDBRANCH 48 50 ENDBRANCH 47 48 ENDBRANCH 34 47 ENDBRANCH 6 34 TORSDOF 13