REMARK Name = BDB016039 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.076 1.379 -1.579 0.00 0.00 +0.162 A ATOM 2 N LIG 1 0.780 1.110 -1.324 0.00 0.00 -0.212 NA ATOM 3 C LIG 1 -0.159 1.577 -2.167 0.00 0.00 +0.131 A ATOM 4 C LIG 1 0.195 2.363 -3.268 0.00 0.00 +0.043 A ATOM 5 C LIG 1 1.553 2.561 -3.451 0.00 0.00 +0.125 A ATOM 6 N LIG 1 2.511 2.075 -2.640 0.00 0.00 -0.235 NA ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 3.639 0.121 1.666 0.00 0.00 -0.014 A ATOM 8 C LIG 1 2.710 0.568 0.712 0.00 0.00 +0.020 A ATOM 9 C LIG 1 3.078 0.899 -0.608 0.00 0.00 +0.020 A ATOM 10 C LIG 1 4.433 0.767 -0.949 0.00 0.00 +0.011 A ATOM 11 C LIG 1 5.372 0.317 -0.019 0.00 0.00 +0.001 A ATOM 12 C LIG 1 4.976 -0.005 1.280 0.00 0.00 +0.008 A BRANCH 7 17 ATOM 13 C LIG 1 1.093 -0.059 5.932 0.00 0.00 +0.172 C ATOM 14 N LIG 1 2.089 -0.255 4.908 0.00 0.00 -0.274 N ATOM 15 N LIG 1 3.167 -1.015 5.170 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 3.860 -0.977 4.029 0.00 0.00 +0.142 A ATOM 17 C LIG 1 3.228 -0.200 3.026 0.00 0.00 +0.020 A ATOM 18 C LIG 1 2.082 0.261 3.644 0.00 0.00 +0.116 A ENDBRANCH 7 17 ENDBRANCH 1 9 BRANCH 4 19 ATOM 19 C LIG 1 -0.765 2.962 -4.179 0.00 0.00 +0.024 A ATOM 20 C LIG 1 -0.620 3.031 -5.551 0.00 0.00 +0.116 A ATOM 21 N LIG 1 -1.738 3.660 -6.021 0.00 0.00 -0.274 N ATOM 22 C LIG 1 -2.053 3.962 -7.396 0.00 0.00 +0.172 C ATOM 23 N LIG 1 -2.604 4.005 -5.052 0.00 0.00 -0.179 NA ATOM 24 C LIG 1 -2.007 3.592 -3.931 0.00 0.00 +0.143 A ENDBRANCH 4 19 BRANCH 3 25 ATOM 25 N LIG 1 -1.509 1.314 -1.894 0.00 0.00 -0.326 N ATOM 26 H LIG 1 -1.985 1.101 -2.769 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 -1.931 0.367 -0.850 0.00 0.00 +0.072 C ATOM 28 C LIG 1 -1.545 -1.090 -1.162 0.00 0.00 +0.022 C ATOM 29 C LIG 1 -0.501 -1.685 -0.219 0.00 0.00 +0.006 C ATOM 30 C LIG 1 -0.803 -1.476 1.279 0.00 0.00 +0.005 C ATOM 31 C LIG 1 -1.786 -0.324 1.558 0.00 0.00 +0.006 C ATOM 32 C LIG 1 -1.611 0.830 0.574 0.00 0.00 +0.022 C BRANCH 30 33 ATOM 33 C LIG 1 -1.236 -2.772 1.987 0.00 0.00 +0.109 C BRANCH 33 34 ATOM 34 N LIG 1 -2.481 -3.287 1.408 0.00 0.00 -0.195 NA ATOM 35 H LIG 1 -2.448 -3.717 0.485 0.00 0.00 +0.148 HD BRANCH 34 36 ATOM 36 S LIG 1 -3.705 -3.849 2.393 0.00 0.00 +0.027 S ATOM 37 O LIG 1 -3.934 -2.866 3.427 0.00 0.00 -0.158 OA ATOM 38 O LIG 1 -4.760 -4.289 1.505 0.00 0.00 -0.158 OA ATOM 39 C LIG 1 -2.970 -5.295 3.130 0.00 0.00 +0.214 C ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 30 33 ENDBRANCH 25 27 ENDBRANCH 3 25 TORSDOF 8