REMARK Name = BDB046794 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.040 1.710 -0.134 0.00 0.00 +0.153 A ATOM 2 C LIG 1 -2.430 1.777 0.168 0.00 0.00 +0.092 A ATOM 3 C LIG 1 -2.863 2.403 1.341 0.00 0.00 +0.056 A ATOM 4 C LIG 1 -1.894 2.877 2.202 0.00 0.00 +0.072 A ATOM 5 N LIG 1 -2.025 3.518 3.441 0.00 0.00 -0.295 N ATOM 6 C LIG 1 -0.742 3.830 3.940 0.00 0.00 +0.330 A ATOM 7 N LIG 1 0.176 3.367 2.971 0.00 0.00 -0.295 N ATOM 8 C LIG 1 1.603 3.483 3.052 0.00 0.00 +0.154 C ATOM 9 O LIG 1 -0.478 4.388 4.993 0.00 0.00 -0.246 OA ATOM 10 C LIG 1 -3.269 3.811 4.093 0.00 0.00 +0.154 C ATOM 11 C LIG 1 -0.531 2.786 1.911 0.00 0.00 +0.073 A ATOM 12 C LIG 1 -0.072 2.222 0.742 0.00 0.00 +0.076 A ENDROOT BRANCH 2 13 ATOM 13 N LIG 1 -3.350 1.292 -0.825 0.00 0.00 -0.211 N ATOM 14 H LIG 1 -2.877 0.830 -1.605 0.00 0.00 +0.174 HD BRANCH 13 15 ATOM 15 S LIG 1 -4.677 0.356 -0.357 0.00 0.00 +0.091 S ATOM 16 O LIG 1 -5.188 -0.270 -1.559 0.00 0.00 -0.148 OA ATOM 17 O LIG 1 -5.542 1.116 0.522 0.00 0.00 -0.148 OA BRANCH 15 18 ATOM 18 C LIG 1 -4.152 -0.994 0.618 0.00 0.00 +0.215 A ATOM 19 N LIG 1 -2.827 -1.275 0.910 0.00 0.00 -0.213 NA ATOM 20 C LIG 1 -2.853 -2.345 1.683 0.00 0.00 +0.109 A ATOM 21 C LIG 1 -1.672 -3.020 2.277 0.00 0.00 +0.086 C ATOM 22 N LIG 1 -4.147 -2.772 1.878 0.00 0.00 -0.336 N ATOM 23 C LIG 1 -4.562 -3.914 2.657 0.00 0.00 +0.150 C ATOM 24 C LIG 1 -4.982 -1.922 1.211 0.00 0.00 +0.136 A ENDBRANCH 15 18 ENDBRANCH 13 15 ENDBRANCH 2 13 BRANCH 1 25 ATOM 25 O LIG 1 -0.697 1.186 -1.370 0.00 0.00 -0.454 OA BRANCH 25 28 ATOM 26 C LIG 1 2.523 -0.168 -2.450 0.00 0.00 +0.124 A ATOM 27 C LIG 1 1.401 0.657 -2.334 0.00 0.00 +0.091 A ATOM 28 C LIG 1 0.395 0.353 -1.418 0.00 0.00 +0.132 A ATOM 29 C LIG 1 0.476 -0.800 -0.639 0.00 0.00 +0.046 A ATOM 30 C LIG 1 1.589 -1.629 -0.756 0.00 0.00 +0.007 A ATOM 31 C LIG 1 2.612 -1.313 -1.657 0.00 0.00 +0.046 A BRANCH 26 32 ATOM 32 O LIG 1 3.437 0.250 -3.377 0.00 0.00 -0.492 OA BRANCH 32 33 ATOM 33 C LIG 1 4.683 -0.443 -3.480 0.00 0.00 +0.229 C BRANCH 33 34 ATOM 34 C LIG 1 4.576 -1.589 -4.484 0.00 0.00 +0.041 C BRANCH 34 36 ATOM 35 C LIG 1 7.040 -1.646 -5.141 0.00 0.00 +0.004 C ATOM 36 C LIG 1 5.852 -2.423 -4.595 0.00 0.00 -0.000 C ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 26 32 ENDBRANCH 25 28 ENDBRANCH 1 25 TORSDOF 9