REMARK Name = BDB032185 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.653 -0.938 0.513 0.00 0.00 +0.126 A ATOM 2 C LIG 1 -2.884 -0.310 0.477 0.00 0.00 +0.024 A ATOM 3 C LIG 1 -4.100 -0.659 -0.313 0.00 0.00 +0.148 C ATOM 4 N LIG 1 -5.073 0.326 0.148 0.00 0.00 -0.281 N ATOM 5 C LIG 1 -4.502 1.264 0.995 0.00 0.00 +0.248 C ATOM 6 O LIG 1 -5.020 2.256 1.470 0.00 0.00 -0.270 OA ATOM 7 C LIG 1 -3.121 0.833 1.236 0.00 0.00 +0.045 A ATOM 8 C LIG 1 -2.164 1.404 2.053 0.00 0.00 +0.020 A ATOM 9 C LIG 1 -0.907 0.789 2.106 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.670 -0.387 1.345 0.00 0.00 +0.053 A ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -6.358 0.550 -0.502 0.00 0.00 +0.163 C ATOM 12 C LIG 1 -6.205 1.155 -1.908 0.00 0.00 +0.240 C ATOM 13 O LIG 1 -5.161 1.623 -2.357 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 -7.346 1.143 -2.679 0.00 0.00 -0.255 N ATOM 15 H LIG 1 -7.232 1.528 -3.607 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 -8.405 0.283 -2.539 0.00 0.00 +0.219 C ATOM 17 O LIG 1 -9.197 0.098 -3.458 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 -8.551 -0.395 -1.197 0.00 0.00 +0.098 C ATOM 19 C LIG 1 -7.192 -0.724 -0.597 0.00 0.00 +0.041 C ENDBRANCH 4 11 BRANCH 1 21 ATOM 20 C LIG 1 -0.216 -2.613 -0.351 0.00 0.00 +0.277 C ATOM 21 O LIG 1 -1.520 -2.048 -0.269 0.00 0.00 -0.495 OA ENDBRANCH 1 21 BRANCH 9 22 ATOM 22 C LIG 1 0.170 1.349 3.008 0.00 0.00 +0.269 C BRANCH 22 23 ATOM 23 O LIG 1 1.460 1.156 2.418 0.00 0.00 -0.445 OA BRANCH 23 24 ATOM 24 C LIG 1 1.978 2.200 1.734 0.00 0.00 +0.406 C ATOM 25 N LIG 1 3.144 1.947 1.069 0.00 0.00 -0.236 N ATOM 26 H LIG 1 3.506 2.763 0.600 0.00 0.00 +0.160 HD ATOM 27 O LIG 1 1.477 3.320 1.685 0.00 0.00 -0.226 OA BRANCH 25 28 ATOM 28 C LIG 1 3.838 0.743 0.930 0.00 0.00 +0.128 A ATOM 29 N LIG 1 3.380 -0.396 1.480 0.00 0.00 -0.240 NA ATOM 30 C LIG 1 4.109 -1.518 1.308 0.00 0.00 +0.113 A ATOM 31 C LIG 1 5.291 -1.567 0.592 0.00 0.00 +0.028 A ATOM 32 C LIG 1 5.768 -0.392 0.007 0.00 0.00 -0.013 A ATOM 33 C LIG 1 5.017 0.778 0.188 0.00 0.00 +0.052 A BRANCH 32 34 ATOM 34 C LIG 1 7.016 -0.382 -0.770 0.00 0.00 -0.018 A ATOM 35 C LIG 1 8.219 -0.846 -0.212 0.00 0.00 +0.008 A ATOM 36 C LIG 1 9.406 -0.834 -0.950 0.00 0.00 +0.001 A ATOM 37 C LIG 1 9.409 -0.360 -2.259 0.00 0.00 +0.000 A ATOM 38 C LIG 1 8.227 0.104 -2.831 0.00 0.00 +0.001 A ATOM 39 C LIG 1 7.041 0.093 -2.092 0.00 0.00 +0.008 A ENDBRANCH 32 34 ENDBRANCH 25 28 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 9 22 TORSDOF 7