REMARK Name = BDB003709 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.401 -1.500 0.065 0.00 0.00 +0.039 A ATOM 2 C LIG 1 -0.500 -0.534 0.515 0.00 0.00 +0.041 A ATOM 3 C LIG 1 0.665 -0.950 1.162 0.00 0.00 +0.106 A ATOM 4 C LIG 1 0.928 -2.310 1.367 0.00 0.00 +0.028 A ATOM 5 C LIG 1 0.030 -3.268 0.894 0.00 0.00 +0.003 A ATOM 6 C LIG 1 -1.130 -2.864 0.230 0.00 0.00 +0.013 A ENDROOT BRANCH 1 8 ATOM 7 N LIG 1 -3.864 -1.326 -0.167 0.00 0.00 -0.291 N ATOM 8 C LIG 1 -2.596 -1.063 -0.684 0.00 0.00 +0.247 C ATOM 9 O LIG 1 -2.391 -0.482 -1.748 0.00 0.00 -0.270 OA BRANCH 7 10 ATOM 10 C LIG 1 -4.120 -1.768 1.212 0.00 0.00 +0.136 C BRANCH 10 11 ATOM 11 C LIG 1 -3.971 -0.661 2.266 0.00 0.00 +0.178 C BRANCH 11 13 ATOM 12 C LIG 1 -5.447 -1.303 4.013 0.00 0.00 +0.194 C ATOM 13 O LIG 1 -4.095 -1.191 3.588 0.00 0.00 -0.381 OA ENDBRANCH 11 13 ENDBRANCH 10 11 ENDBRANCH 7 10 BRANCH 7 14 ATOM 14 C LIG 1 -5.021 -0.937 -0.976 0.00 0.00 +0.143 C BRANCH 14 15 ATOM 15 C LIG 1 -5.683 0.336 -0.504 0.00 0.00 -0.030 A ATOM 16 C LIG 1 -5.034 1.570 -0.652 0.00 0.00 +0.005 A ATOM 17 C LIG 1 -5.636 2.746 -0.204 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -6.893 2.701 0.395 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -7.552 1.482 0.541 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -6.952 0.304 0.095 0.00 0.00 +0.005 A ENDBRANCH 14 15 ENDBRANCH 7 14 ENDBRANCH 1 8 BRANCH 3 21 ATOM 21 S LIG 1 1.827 0.251 1.760 0.00 0.00 +0.061 S ATOM 22 O LIG 1 2.294 -0.213 3.048 0.00 0.00 -0.153 OA ATOM 23 O LIG 1 1.250 1.569 1.602 0.00 0.00 -0.153 OA BRANCH 21 24 ATOM 24 N LIG 1 3.113 0.108 0.648 0.00 0.00 -0.174 NA ATOM 25 C LIG 1 4.358 0.809 1.116 0.00 0.00 +0.128 C ATOM 26 C LIG 1 5.541 0.513 0.175 0.00 0.00 +0.122 C ATOM 27 N LIG 1 5.207 0.888 -1.223 0.00 0.00 -0.327 N ATOM 28 C LIG 1 3.967 0.238 -1.701 0.00 0.00 +0.122 C ATOM 29 C LIG 1 2.790 0.548 -0.754 0.00 0.00 +0.128 C BRANCH 27 30 ATOM 30 C LIG 1 6.318 0.899 -2.084 0.00 0.00 +0.030 A ATOM 31 C LIG 1 7.378 1.787 -1.829 0.00 0.00 +0.023 A ATOM 32 C LIG 1 8.503 1.851 -2.658 0.00 0.00 +0.002 A ATOM 33 C LIG 1 8.588 1.029 -3.776 0.00 0.00 +0.000 A ATOM 34 C LIG 1 7.548 0.151 -4.060 0.00 0.00 +0.002 A ATOM 35 C LIG 1 6.425 0.091 -3.225 0.00 0.00 +0.023 A ENDBRANCH 27 30 ENDBRANCH 21 24 ENDBRANCH 3 21 TORSDOF 9