REMARK Name = BDB032183 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.015 1.900 -0.300 0.00 0.00 +0.126 A ATOM 2 C LIG 1 -3.809 0.771 -0.211 0.00 0.00 +0.024 A ATOM 3 C LIG 1 -5.249 0.654 0.168 0.00 0.00 +0.148 C ATOM 4 N LIG 1 -5.476 -0.786 0.103 0.00 0.00 -0.281 N ATOM 5 C LIG 1 -4.355 -1.477 -0.326 0.00 0.00 +0.248 C ATOM 6 O LIG 1 -4.253 -2.665 -0.564 0.00 0.00 -0.270 OA ATOM 7 C LIG 1 -3.285 -0.488 -0.493 0.00 0.00 +0.045 A ATOM 8 C LIG 1 -1.973 -0.687 -0.875 0.00 0.00 +0.020 A ATOM 9 C LIG 1 -1.152 0.442 -0.979 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -1.678 1.726 -0.682 0.00 0.00 +0.053 A ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -6.792 -1.409 0.197 0.00 0.00 +0.163 C ATOM 12 C LIG 1 -7.699 -0.830 1.295 0.00 0.00 +0.240 C ATOM 13 O LIG 1 -7.293 -0.203 2.271 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 -9.044 -1.094 1.161 0.00 0.00 -0.255 N ATOM 15 H LIG 1 -9.638 -0.715 1.886 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 -9.696 -1.580 0.056 0.00 0.00 +0.219 C ATOM 17 O LIG 1 -10.922 -1.603 0.005 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 -8.829 -2.115 -1.058 0.00 0.00 +0.098 C ATOM 19 C LIG 1 -7.517 -1.354 -1.149 0.00 0.00 +0.041 C ENDBRANCH 4 11 BRANCH 1 21 ATOM 20 C LIG 1 -2.817 4.253 -0.040 0.00 0.00 +0.277 C ATOM 21 O LIG 1 -3.626 3.083 -0.004 0.00 0.00 -0.495 OA ENDBRANCH 1 21 BRANCH 9 22 ATOM 22 C LIG 1 0.300 0.293 -1.361 0.00 0.00 +0.269 C BRANCH 22 23 ATOM 23 O LIG 1 1.055 0.204 -0.151 0.00 0.00 -0.445 OA BRANCH 23 24 ATOM 24 C LIG 1 2.398 0.129 -0.349 0.00 0.00 +0.405 C ATOM 25 N LIG 1 2.996 0.032 0.874 0.00 0.00 -0.251 N ATOM 26 H LIG 1 2.339 0.026 1.642 0.00 0.00 +0.158 HD ATOM 27 O LIG 1 2.922 0.151 -1.451 0.00 0.00 -0.226 OA BRANCH 25 28 ATOM 28 C LIG 1 4.364 -0.065 1.181 0.00 0.00 +0.037 A ATOM 29 C LIG 1 5.381 -0.071 0.217 0.00 0.00 +0.027 A ATOM 30 C LIG 1 6.741 -0.171 0.575 0.00 0.00 -0.040 A ATOM 31 C LIG 1 7.045 -0.265 1.946 0.00 0.00 +0.004 A ATOM 32 C LIG 1 6.041 -0.260 2.914 0.00 0.00 +0.002 A ATOM 33 C LIG 1 4.706 -0.160 2.532 0.00 0.00 +0.023 A BRANCH 30 34 ATOM 34 C LIG 1 7.875 -0.180 -0.467 0.00 0.00 -0.013 C ATOM 35 C LIG 1 7.387 -0.067 -1.930 0.00 0.00 +0.015 C ATOM 36 C LIG 1 8.671 -1.498 -0.354 0.00 0.00 +0.015 C ATOM 37 C LIG 1 8.824 1.010 -0.212 0.00 0.00 +0.015 C ENDBRANCH 30 34 ENDBRANCH 25 28 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 9 22 TORSDOF 7