REMARK Name = BDB026484 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.329 0.871 2.948 0.00 0.00 -0.252 OA ATOM 2 C LIG 1 -0.531 0.779 1.749 0.00 0.00 +0.305 C ATOM 3 N LIG 1 -1.720 1.059 1.069 0.00 0.00 -0.281 N ATOM 4 C LIG 1 -1.519 0.985 -0.361 0.00 0.00 +0.128 C ATOM 5 C LIG 1 -0.247 0.158 -0.482 0.00 0.00 +0.128 C ATOM 6 N LIG 1 0.410 0.380 0.788 0.00 0.00 -0.280 N ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -2.894 1.651 1.690 0.00 0.00 +0.142 C BRANCH 7 8 ATOM 8 C LIG 1 -4.002 0.654 2.086 0.00 0.00 +0.146 C BRANCH 8 9 ATOM 9 O LIG 1 -3.553 -0.236 3.115 0.00 0.00 -0.389 OA ATOM 10 H LIG 1 -4.173 -0.992 3.086 0.00 0.00 +0.210 HD ENDBRANCH 8 9 BRANCH 8 11 ATOM 11 C LIG 1 -4.534 -0.180 0.902 0.00 0.00 +0.117 C BRANCH 11 12 ATOM 12 N LIG 1 -5.584 -1.137 1.331 0.00 0.00 -0.295 NA ATOM 13 C LIG 1 -6.890 -0.487 1.569 0.00 0.00 +0.120 C ATOM 14 C LIG 1 -7.640 -0.085 0.316 0.00 0.00 -0.030 A ATOM 15 C LIG 1 -7.387 -0.723 -0.912 0.00 0.00 -0.042 A ATOM 16 C LIG 1 -8.120 -0.358 -2.049 0.00 0.00 +0.004 A ATOM 17 C LIG 1 -9.113 0.617 -1.965 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -9.379 1.236 -0.746 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -6.288 -1.751 -1.022 0.00 0.00 +0.051 C ATOM 20 C LIG 1 -8.650 0.885 0.390 0.00 0.00 +0.005 A ATOM 21 C LIG 1 -5.773 -2.220 0.347 0.00 0.00 +0.089 C ENDBRANCH 11 12 ENDBRANCH 8 11 ENDBRANCH 7 8 ENDBRANCH 3 7 BRANCH 6 22 ATOM 22 C LIG 1 1.617 -0.318 1.179 0.00 0.00 +0.144 C BRANCH 22 23 ATOM 23 C LIG 1 2.737 -0.151 0.182 0.00 0.00 -0.030 A ATOM 24 C LIG 1 3.206 -1.245 -0.561 0.00 0.00 +0.007 A ATOM 25 C LIG 1 4.235 -1.080 -1.490 0.00 0.00 +0.029 A ATOM 26 C LIG 1 4.810 0.181 -1.668 0.00 0.00 +0.105 A ATOM 27 C LIG 1 4.337 1.285 -0.955 0.00 0.00 +0.029 A ATOM 28 C LIG 1 3.310 1.114 -0.025 0.00 0.00 +0.007 A BRANCH 26 29 ATOM 29 S LIG 1 6.098 0.402 -2.880 0.00 0.00 +0.061 S ATOM 30 O LIG 1 6.047 1.781 -3.317 0.00 0.00 -0.153 OA ATOM 31 O LIG 1 5.990 -0.686 -3.830 0.00 0.00 -0.153 OA BRANCH 29 32 ATOM 32 N LIG 1 7.519 0.179 -1.978 0.00 0.00 -0.177 NA ATOM 33 C LIG 1 7.933 1.283 -1.082 0.00 0.00 +0.109 C ATOM 34 C LIG 1 9.245 0.931 -0.392 0.00 0.00 +0.017 C ATOM 35 C LIG 1 9.102 -0.314 0.483 0.00 0.00 +0.003 C ATOM 36 C LIG 1 8.007 -1.255 -0.015 0.00 0.00 +0.017 C ATOM 37 C LIG 1 7.854 -1.193 -1.529 0.00 0.00 +0.109 C ENDBRANCH 29 32 ENDBRANCH 26 29 ENDBRANCH 22 23 ENDBRANCH 6 22 TORSDOF 9