REMARK Name = BDB015598 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.244 0.319 -1.915 0.00 0.00 +0.145 A ATOM 2 N LIG 1 -0.554 -0.654 -1.475 0.00 0.00 -0.179 NA ATOM 3 C LIG 1 -0.079 -1.338 -0.431 0.00 0.00 +0.321 A ATOM 4 N LIG 1 1.101 -1.151 0.176 0.00 0.00 -0.195 NA ATOM 5 C LIG 1 1.853 -0.136 -0.293 0.00 0.00 +0.081 A ATOM 6 C LIG 1 1.463 0.641 -1.365 0.00 0.00 +0.073 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 3.138 0.085 0.411 0.00 0.00 +0.017 A ATOM 8 C LIG 1 3.482 1.326 0.803 0.00 0.00 +0.098 A ATOM 9 N LIG 1 4.665 1.585 1.480 0.00 0.00 -0.317 N ATOM 10 C LIG 1 4.946 2.952 1.894 0.00 0.00 +0.152 C ATOM 11 C LIG 1 5.558 0.576 1.841 0.00 0.00 +0.254 A ATOM 12 O LIG 1 6.596 0.769 2.468 0.00 0.00 -0.267 OA ATOM 13 C LIG 1 5.182 -0.814 1.420 0.00 0.00 +0.015 A ATOM 14 C LIG 1 6.128 -1.911 1.790 0.00 0.00 +0.049 C ATOM 15 C LIG 1 4.033 -1.009 0.752 0.00 0.00 +0.020 A ENDBRANCH 5 7 BRANCH 1 16 ATOM 16 N LIG 1 -0.307 1.095 -2.958 0.00 0.00 -0.204 N ATOM 17 H LIG 1 0.348 1.566 -3.578 0.00 0.00 +0.175 HD BRANCH 16 18 ATOM 18 S LIG 1 -1.512 2.168 -2.481 0.00 0.00 +0.044 S ATOM 19 O LIG 1 -1.312 2.522 -1.091 0.00 0.00 -0.155 OA ATOM 20 O LIG 1 -1.512 3.193 -3.507 0.00 0.00 -0.155 OA BRANCH 18 22 ATOM 21 C LIG 1 -4.239 2.022 -2.451 0.00 0.00 +0.030 C ATOM 22 C LIG 1 -2.996 1.183 -2.671 0.00 0.00 +0.185 C ENDBRANCH 18 22 ENDBRANCH 16 18 ENDBRANCH 1 16 BRANCH 3 23 ATOM 23 O LIG 1 -0.885 -2.327 0.073 0.00 0.00 -0.455 OA BRANCH 23 24 ATOM 24 C LIG 1 -1.569 -1.817 1.226 0.00 0.00 +0.204 C ATOM 25 C LIG 1 -1.597 -2.927 2.276 0.00 0.00 +0.057 C BRANCH 24 26 ATOM 26 C LIG 1 -2.981 -1.391 0.850 0.00 0.00 -0.008 A ATOM 27 C LIG 1 -3.820 -2.232 0.101 0.00 0.00 +0.007 A ATOM 28 C LIG 1 -5.116 -1.830 -0.232 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -5.589 -0.584 0.177 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -4.766 0.261 0.920 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -3.469 -0.137 1.253 0.00 0.00 +0.007 A ENDBRANCH 24 26 ENDBRANCH 23 24 ENDBRANCH 3 23 TORSDOF 7