REMARK Name = BDB034264 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 4.142 0.995 0.040 0.00 0.00 -0.282 N ATOM 2 C LIG 1 4.640 -0.170 0.606 0.00 0.00 +0.248 C ATOM 3 O LIG 1 5.779 -0.420 0.949 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 3.507 -1.091 0.747 0.00 0.00 +0.042 A ATOM 5 C LIG 1 2.352 -0.426 0.340 0.00 0.00 -0.015 A ATOM 6 C LIG 1 1.121 -1.065 0.373 0.00 0.00 +0.051 A ATOM 7 C LIG 1 1.080 -2.396 0.806 0.00 0.00 +0.121 A ATOM 8 C LIG 1 2.257 -3.044 1.238 0.00 0.00 +0.046 A ATOM 9 C LIG 1 3.492 -2.393 1.207 0.00 0.00 +0.017 A ATOM 10 C LIG 1 2.688 0.971 -0.060 0.00 0.00 +0.144 C ENDROOT BRANCH 1 17 ATOM 11 O LIG 1 7.829 5.027 0.760 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 7.011 4.140 0.529 0.00 0.00 +0.219 C ATOM 13 N LIG 1 6.070 3.788 1.464 0.00 0.00 -0.255 N ATOM 14 H LIG 1 6.125 4.271 2.350 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 5.000 2.938 1.306 0.00 0.00 +0.240 C ATOM 16 O LIG 1 4.144 2.847 2.185 0.00 0.00 -0.273 OA ATOM 17 C LIG 1 4.887 2.245 -0.062 0.00 0.00 +0.163 C ATOM 18 C LIG 1 6.268 2.089 -0.699 0.00 0.00 +0.041 C ATOM 19 C LIG 1 6.924 3.456 -0.816 0.00 0.00 +0.098 C ENDBRANCH 1 17 BRANCH 7 20 ATOM 20 O LIG 1 -0.054 -3.154 0.901 0.00 0.00 -0.487 OA BRANCH 20 21 ATOM 21 C LIG 1 -1.112 -2.894 -0.043 0.00 0.00 +0.190 C ATOM 22 C LIG 1 -2.266 -2.109 0.664 0.00 0.00 +0.097 C ATOM 23 C LIG 1 -2.867 -3.020 1.768 0.00 0.00 +0.022 C ATOM 24 C LIG 1 -3.348 -4.369 1.235 0.00 0.00 +0.002 C ATOM 25 C LIG 1 -2.234 -5.115 0.512 0.00 0.00 +0.004 C ATOM 26 C LIG 1 -1.590 -4.256 -0.575 0.00 0.00 +0.046 C BRANCH 22 27 ATOM 27 N LIG 1 -3.313 -1.696 -0.306 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 -4.289 -0.744 0.284 0.00 0.00 +0.094 C ATOM 29 C LIG 1 -3.506 0.443 -0.316 0.00 0.00 +0.047 C ATOM 30 C LIG 1 -2.847 -0.622 -1.218 0.00 0.00 +0.094 C BRANCH 29 31 ATOM 31 C LIG 1 -4.297 1.650 -0.981 0.00 0.00 -0.038 A ATOM 32 C LIG 1 -4.053 2.986 -0.599 0.00 0.00 +0.049 A ATOM 33 C LIG 1 -4.742 4.050 -1.183 0.00 0.00 +0.117 A ATOM 34 C LIG 1 -5.695 3.827 -2.165 0.00 0.00 +0.045 A ATOM 35 C LIG 1 -5.966 2.524 -2.565 0.00 0.00 +0.004 A ATOM 36 C LIG 1 -5.276 1.457 -1.980 0.00 0.00 +0.004 A BRANCH 33 37 ATOM 37 O LIG 1 -4.503 5.340 -0.812 0.00 0.00 -0.507 OA ATOM 38 H LIG 1 -3.842 5.344 -0.100 0.00 0.00 +0.292 HD ENDBRANCH 33 37 ENDBRANCH 29 31 ENDBRANCH 22 27 ENDBRANCH 20 21 ENDBRANCH 7 20 TORSDOF 6