REMARK Name = BDB016034 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.690 -0.330 0.352 0.00 0.00 +0.162 A ATOM 2 N LIG 1 0.384 -0.350 0.681 0.00 0.00 -0.212 NA ATOM 3 C LIG 1 -0.344 -1.431 0.332 0.00 0.00 +0.131 A ATOM 4 C LIG 1 0.224 -2.523 -0.322 0.00 0.00 +0.043 A ATOM 5 C LIG 1 1.570 -2.400 -0.612 0.00 0.00 +0.125 A ATOM 6 N LIG 1 2.320 -1.325 -0.298 0.00 0.00 -0.235 NA ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 4.598 2.117 0.726 0.00 0.00 -0.014 A ATOM 8 C LIG 1 3.837 0.988 0.378 0.00 0.00 +0.020 A ATOM 9 C LIG 1 2.476 0.864 0.727 0.00 0.00 +0.020 A ATOM 10 C LIG 1 1.897 1.927 1.445 0.00 0.00 +0.011 A ATOM 11 C LIG 1 2.638 3.057 1.796 0.00 0.00 +0.001 A ATOM 12 C LIG 1 3.981 3.151 1.437 0.00 0.00 +0.008 A BRANCH 7 17 ATOM 13 C LIG 1 9.298 0.984 -0.418 0.00 0.00 +0.172 C ATOM 14 N LIG 1 8.076 1.699 -0.145 0.00 0.00 -0.274 N ATOM 15 N LIG 1 8.070 3.042 -0.197 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 6.808 3.359 0.107 0.00 0.00 +0.142 A ATOM 17 C LIG 1 6.000 2.224 0.354 0.00 0.00 +0.020 A ATOM 18 C LIG 1 6.864 1.162 0.183 0.00 0.00 +0.116 A ENDBRANCH 7 17 ENDBRANCH 1 9 BRANCH 4 19 ATOM 19 C LIG 1 -0.506 -3.724 -0.673 0.00 0.00 +0.024 A ATOM 20 C LIG 1 -0.414 -4.384 -1.882 0.00 0.00 +0.116 A ATOM 21 N LIG 1 -1.271 -5.445 -1.802 0.00 0.00 -0.274 N ATOM 22 C LIG 1 -1.533 -6.430 -2.824 0.00 0.00 +0.172 C ATOM 23 N LIG 1 -1.915 -5.524 -0.625 0.00 0.00 -0.179 NA ATOM 24 C LIG 1 -1.443 -4.483 0.065 0.00 0.00 +0.143 A ENDBRANCH 4 19 BRANCH 3 25 ATOM 25 N LIG 1 -1.719 -1.439 0.682 0.00 0.00 -0.326 N ATOM 26 H LIG 1 -2.256 -1.771 -0.118 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 -2.343 -0.329 1.352 0.00 0.00 +0.072 C ATOM 28 C LIG 1 -3.855 -0.557 1.571 0.00 0.00 +0.027 C ATOM 29 C LIG 1 -4.121 0.203 0.246 0.00 0.00 +0.008 C ATOM 30 C LIG 1 -2.713 0.834 0.404 0.00 0.00 +0.027 C BRANCH 29 31 ATOM 31 C LIG 1 -5.309 1.154 0.248 0.00 0.00 +0.109 C BRANCH 31 32 ATOM 32 N LIG 1 -5.327 1.937 -0.990 0.00 0.00 -0.195 NA ATOM 33 H LIG 1 -4.510 2.508 -1.207 0.00 0.00 +0.148 HD BRANCH 32 34 ATOM 34 S LIG 1 -6.769 2.586 -1.542 0.00 0.00 +0.027 S ATOM 35 O LIG 1 -6.434 3.351 -2.721 0.00 0.00 -0.158 OA ATOM 36 O LIG 1 -7.759 1.534 -1.566 0.00 0.00 -0.158 OA ATOM 37 C LIG 1 -7.192 3.733 -0.246 0.00 0.00 +0.214 C ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 25 27 ENDBRANCH 3 25 TORSDOF 8