REMARK Name = BDB046155 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.443 1.673 -0.586 0.00 0.00 +0.002 A ATOM 2 C LIG 1 -0.665 2.470 -0.274 0.00 0.00 +0.012 A ATOM 3 C LIG 1 -1.948 1.917 -0.158 0.00 0.00 +0.024 A ATOM 4 C LIG 1 -2.151 0.553 -0.360 0.00 0.00 +0.035 A ATOM 5 C LIG 1 -1.047 -0.250 -0.671 0.00 0.00 +0.024 A ATOM 6 C LIG 1 0.236 0.303 -0.784 0.00 0.00 +0.012 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 5.282 2.722 -0.992 0.00 0.00 +0.117 A ATOM 8 N LIG 1 3.912 2.611 -0.875 0.00 0.00 -0.289 N ATOM 9 C LIG 1 3.238 3.794 -0.816 0.00 0.00 +0.178 A ATOM 10 N LIG 1 1.950 3.660 -0.682 0.00 0.00 -0.221 NA ATOM 11 C LIG 1 1.760 2.286 -0.694 0.00 0.00 +0.090 A ATOM 12 S LIG 1 4.314 5.149 -0.935 0.00 0.00 -0.057 S ATOM 13 C LIG 1 2.973 1.619 -0.819 0.00 0.00 +0.122 A ATOM 14 C LIG 1 5.666 4.013 -1.060 0.00 0.00 +0.080 A BRANCH 7 17 ATOM 15 N LIG 1 5.989 0.532 -0.302 0.00 0.00 -0.310 N ATOM 16 H LIG 1 5.224 0.560 0.359 0.00 0.00 +0.149 HD ATOM 17 C LIG 1 6.284 1.643 -1.055 0.00 0.00 +0.261 C ATOM 18 O LIG 1 7.317 1.777 -1.701 0.00 0.00 -0.269 OA BRANCH 15 19 ATOM 19 C LIG 1 6.912 -0.586 -0.203 0.00 0.00 +0.106 C BRANCH 19 20 ATOM 20 C LIG 1 8.040 -0.300 0.786 0.00 0.00 +0.034 C BRANCH 20 21 ATOM 21 C LIG 1 8.920 -1.527 1.057 0.00 0.00 +0.085 C BRANCH 21 23 ATOM 22 C LIG 1 10.427 -1.268 -0.838 0.00 0.00 +0.104 C ATOM 23 N LIG 1 9.487 -2.155 -0.146 0.00 0.00 -0.308 NA ATOM 24 C LIG 1 10.164 -3.406 0.210 0.00 0.00 +0.104 C ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 15 19 ENDBRANCH 7 17 ENDBRANCH 1 11 BRANCH 4 25 ATOM 25 N LIG 1 -3.404 -0.087 -0.252 0.00 0.00 -0.269 N ATOM 26 H LIG 1 -3.410 -1.074 -0.454 0.00 0.00 +0.156 HD ATOM 27 C LIG 1 -4.650 0.513 -0.088 0.00 0.00 +0.309 C ATOM 28 N LIG 1 -5.620 -0.458 0.101 0.00 0.00 -0.251 N ATOM 29 H LIG 1 -5.325 -1.393 0.319 0.00 0.00 +0.158 HD ATOM 30 O LIG 1 -4.850 1.718 -0.103 0.00 0.00 -0.252 OA BRANCH 28 31 ATOM 31 C LIG 1 -6.976 -0.205 0.209 0.00 0.00 +0.169 A ATOM 32 N LIG 1 -7.581 0.966 0.006 0.00 0.00 -0.063 NA ATOM 33 O LIG 1 -8.927 0.753 0.211 0.00 0.00 -0.357 OA ATOM 34 C LIG 1 -9.142 -0.553 0.531 0.00 0.00 +0.144 A ATOM 35 C LIG 1 -7.929 -1.201 0.537 0.00 0.00 +0.092 A BRANCH 34 36 ATOM 36 C LIG 1 -10.569 -0.953 0.787 0.00 0.00 +0.023 C ATOM 37 C LIG 1 -11.132 -0.140 1.967 0.00 0.00 +0.019 C ATOM 38 C LIG 1 -11.417 -0.685 -0.469 0.00 0.00 +0.019 C ATOM 39 C LIG 1 -10.666 -2.450 1.134 0.00 0.00 +0.019 C ENDBRANCH 34 36 ENDBRANCH 28 31 ENDBRANCH 4 25 TORSDOF 9