REMARK Name = BDB016020 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.153 -2.254 0.728 0.00 0.00 +0.162 A ATOM 2 N LIG 1 1.062 -1.690 0.176 0.00 0.00 -0.212 NA ATOM 3 C LIG 1 -0.009 -2.467 -0.082 0.00 0.00 +0.131 A ATOM 4 C LIG 1 0.009 -3.837 0.181 0.00 0.00 +0.043 A ATOM 5 C LIG 1 1.180 -4.317 0.743 0.00 0.00 +0.125 A ATOM 6 N LIG 1 2.255 -3.557 1.033 0.00 0.00 -0.235 NA ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 4.306 0.878 1.084 0.00 0.00 -0.014 A ATOM 8 C LIG 1 3.232 0.019 0.797 0.00 0.00 +0.020 A ATOM 9 C LIG 1 3.299 -1.372 1.030 0.00 0.00 +0.020 A ATOM 10 C LIG 1 4.498 -1.877 1.563 0.00 0.00 +0.011 A ATOM 11 C LIG 1 5.578 -1.038 1.848 0.00 0.00 +0.001 A ATOM 12 C LIG 1 5.481 0.333 1.609 0.00 0.00 +0.008 A BRANCH 7 17 ATOM 13 C LIG 1 2.527 5.486 0.554 0.00 0.00 +0.172 C ATOM 14 N LIG 1 3.400 4.339 0.613 0.00 0.00 -0.274 N ATOM 15 N LIG 1 4.715 4.497 0.383 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 5.205 3.261 0.521 0.00 0.00 +0.142 A ATOM 17 C LIG 1 4.209 2.307 0.837 0.00 0.00 +0.020 A ATOM 18 C LIG 1 3.046 3.051 0.892 0.00 0.00 +0.116 A ENDBRANCH 7 17 ENDBRANCH 1 9 BRANCH 4 19 ATOM 19 C LIG 1 -1.093 -4.733 -0.117 0.00 0.00 +0.024 A ATOM 20 C LIG 1 -1.519 -5.765 0.694 0.00 0.00 +0.116 A ATOM 21 N LIG 1 -2.574 -6.347 0.050 0.00 0.00 -0.274 N ATOM 22 C LIG 1 -3.357 -7.471 0.501 0.00 0.00 +0.172 C ATOM 23 N LIG 1 -2.870 -5.763 -1.124 0.00 0.00 -0.179 NA ATOM 24 C LIG 1 -1.962 -4.790 -1.231 0.00 0.00 +0.143 A ENDBRANCH 4 19 BRANCH 3 25 ATOM 25 N LIG 1 -1.143 -1.867 -0.660 0.00 0.00 -0.326 N ATOM 26 H LIG 1 -1.982 -2.165 -0.168 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 -1.098 -0.423 -0.897 0.00 0.00 +0.072 C ATOM 28 C LIG 1 -1.357 0.360 0.399 0.00 0.00 +0.024 C ATOM 29 C LIG 1 -1.409 1.863 0.136 0.00 0.00 +0.022 C ATOM 30 C LIG 1 -2.462 2.215 -0.919 0.00 0.00 +0.076 C ATOM 31 C LIG 1 -2.232 1.425 -2.209 0.00 0.00 +0.022 C ATOM 32 C LIG 1 -2.170 -0.079 -1.944 0.00 0.00 +0.024 C BRANCH 30 33 ATOM 33 N LIG 1 -2.366 3.658 -1.192 0.00 0.00 -0.192 NA ATOM 34 H LIG 1 -1.566 3.983 -1.738 0.00 0.00 +0.148 HD BRANCH 33 35 ATOM 35 S LIG 1 -3.757 4.527 -1.544 0.00 0.00 +0.027 S ATOM 36 O LIG 1 -3.303 5.751 -2.165 0.00 0.00 -0.158 OA ATOM 37 O LIG 1 -4.699 3.645 -2.192 0.00 0.00 -0.158 OA ATOM 38 C LIG 1 -4.352 4.921 0.087 0.00 0.00 +0.214 C ENDBRANCH 33 35 ENDBRANCH 30 33 ENDBRANCH 25 27 ENDBRANCH 3 25 TORSDOF 7