REMARK Name = BDB061572 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.773 -0.166 0.721 0.00 0.00 +0.190 A ATOM 2 N LIG 1 -0.386 -0.614 0.224 0.00 0.00 -0.221 NA ATOM 3 C LIG 1 -1.534 -0.045 0.667 0.00 0.00 +0.094 A ATOM 4 C LIG 1 -1.532 0.990 1.588 0.00 0.00 +0.110 A ATOM 5 C LIG 1 -0.282 1.393 2.030 0.00 0.00 +0.126 A ATOM 6 N LIG 1 0.870 0.811 1.624 0.00 0.00 -0.214 NA ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -2.748 -0.626 0.055 0.00 0.00 +0.009 A ATOM 8 C LIG 1 -3.818 -1.107 0.834 0.00 0.00 +0.059 A ATOM 9 C LIG 1 -4.967 -1.639 0.240 0.00 0.00 +0.166 A ATOM 10 C LIG 1 -5.035 -1.713 -1.160 0.00 0.00 +0.204 A ATOM 11 C LIG 1 -3.965 -1.290 -1.962 0.00 0.00 +0.166 A ATOM 12 C LIG 1 -2.838 -0.739 -1.347 0.00 0.00 +0.059 A BRANCH 9 13 ATOM 13 O LIG 1 -6.054 -2.115 0.926 0.00 0.00 -0.491 OA ATOM 14 C LIG 1 -6.089 -1.907 2.332 0.00 0.00 +0.277 C ENDBRANCH 9 13 BRANCH 10 15 ATOM 15 O LIG 1 -6.139 -2.284 -1.754 0.00 0.00 -0.488 OA ATOM 16 C LIG 1 -7.110 -1.277 -2.035 0.00 0.00 +0.277 C ENDBRANCH 10 15 BRANCH 11 17 ATOM 17 O LIG 1 -4.123 -1.426 -3.317 0.00 0.00 -0.491 OA ATOM 18 C LIG 1 -2.946 -1.354 -4.112 0.00 0.00 +0.277 C ENDBRANCH 11 17 ENDBRANCH 3 7 BRANCH 4 19 ATOM 19 C LIG 1 -2.734 1.612 2.040 0.00 0.00 +0.104 C ATOM 20 N LIG 1 -3.717 2.086 2.434 0.00 0.00 -0.191 NA ENDBRANCH 4 19 BRANCH 1 21 ATOM 21 S LIG 1 2.243 -0.946 0.117 0.00 0.00 -0.081 S BRANCH 21 22 ATOM 22 C LIG 1 3.505 0.043 0.973 0.00 0.00 +0.112 C BRANCH 22 26 ATOM 23 C LIG 1 7.489 -1.272 -0.094 0.00 0.00 +0.120 A ATOM 24 C LIG 1 6.846 -0.292 -0.850 0.00 0.00 +0.046 A ATOM 25 C LIG 1 5.558 0.134 -0.503 0.00 0.00 +0.008 A ATOM 26 C LIG 1 4.898 -0.410 0.608 0.00 0.00 -0.037 A ATOM 27 C LIG 1 5.545 -1.400 1.357 0.00 0.00 +0.008 A ATOM 28 C LIG 1 6.831 -1.822 1.009 0.00 0.00 +0.046 A BRANCH 23 30 ATOM 29 C LIG 1 9.436 -1.272 -1.455 0.00 0.00 +0.277 C ATOM 30 O LIG 1 8.740 -1.774 -0.322 0.00 0.00 -0.495 OA ENDBRANCH 23 30 ENDBRANCH 22 26 ENDBRANCH 21 22 ENDBRANCH 1 21 BRANCH 5 31 ATOM 31 S LIG 1 -0.043 2.708 3.218 0.00 0.00 -0.042 S BRANCH 31 32 ATOM 32 C LIG 1 -0.204 4.072 2.126 0.00 0.00 +0.141 A ATOM 33 S LIG 1 0.235 5.664 2.595 0.00 0.00 -0.069 S ATOM 34 C LIG 1 -0.254 6.240 1.057 0.00 0.00 +0.067 A ATOM 35 C LIG 1 -0.719 5.189 0.296 0.00 0.00 +0.120 A ATOM 36 N LIG 1 -0.690 3.950 0.908 0.00 0.00 -0.241 NA ENDBRANCH 31 32 ENDBRANCH 5 31 TORSDOF 11