REMARK Name = BDB032186 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.896 1.306 -1.603 0.00 0.00 +0.126 A ATOM 2 C LIG 1 3.753 0.755 -0.668 0.00 0.00 +0.024 A ATOM 3 C LIG 1 5.173 0.325 -0.825 0.00 0.00 +0.148 C ATOM 4 N LIG 1 5.482 -0.240 0.485 0.00 0.00 -0.281 N ATOM 5 C LIG 1 4.448 -0.050 1.389 0.00 0.00 +0.248 C ATOM 6 O LIG 1 4.431 -0.315 2.576 0.00 0.00 -0.270 OA ATOM 7 C LIG 1 3.334 0.543 0.642 0.00 0.00 +0.045 A ATOM 8 C LIG 1 2.067 0.867 1.086 0.00 0.00 +0.020 A ATOM 9 C LIG 1 1.182 1.434 0.160 0.00 0.00 -0.006 A ATOM 10 C LIG 1 1.601 1.639 -1.181 0.00 0.00 +0.053 A ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 6.834 -0.571 0.917 0.00 0.00 +0.163 C ATOM 12 C LIG 1 7.709 0.681 1.099 0.00 0.00 +0.240 C ATOM 13 O LIG 1 7.282 1.833 1.122 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 9.057 0.440 1.240 0.00 0.00 -0.255 N ATOM 15 H LIG 1 9.628 1.268 1.344 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 9.729 -0.668 0.788 0.00 0.00 +0.219 C ATOM 17 O LIG 1 10.946 -0.651 0.632 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 8.897 -1.901 0.522 0.00 0.00 +0.098 C ATOM 19 C LIG 1 7.533 -1.532 -0.040 0.00 0.00 +0.041 C ENDBRANCH 4 11 BRANCH 1 21 ATOM 20 C LIG 1 2.558 2.081 -3.822 0.00 0.00 +0.277 C ATOM 21 O LIG 1 3.405 1.465 -2.858 0.00 0.00 -0.495 OA ENDBRANCH 1 21 BRANCH 9 22 ATOM 22 C LIG 1 -0.225 1.786 0.572 0.00 0.00 +0.269 C BRANCH 22 23 ATOM 23 O LIG 1 -1.059 0.670 0.252 0.00 0.00 -0.445 OA BRANCH 23 24 ATOM 24 C LIG 1 -2.377 0.881 0.507 0.00 0.00 +0.405 C ATOM 25 N LIG 1 -3.055 -0.257 0.178 0.00 0.00 -0.251 N ATOM 26 H LIG 1 -2.458 -0.997 -0.164 0.00 0.00 +0.158 HD ATOM 27 O LIG 1 -2.823 1.927 0.952 0.00 0.00 -0.226 OA BRANCH 25 28 ATOM 28 C LIG 1 -4.433 -0.509 0.266 0.00 0.00 +0.036 A ATOM 29 C LIG 1 -5.366 0.417 0.722 0.00 0.00 +0.024 A ATOM 30 C LIG 1 -6.728 0.084 0.778 0.00 0.00 +0.006 A ATOM 31 C LIG 1 -7.214 -1.177 0.388 0.00 0.00 -0.044 A ATOM 32 C LIG 1 -6.245 -2.090 -0.070 0.00 0.00 +0.006 A ATOM 33 C LIG 1 -4.883 -1.769 -0.131 0.00 0.00 +0.024 A BRANCH 31 34 ATOM 34 C LIG 1 -8.757 -1.588 0.435 0.00 0.00 +0.019 C ATOM 35 C LIG 1 -9.628 -1.232 -0.803 0.00 0.00 +0.008 C ATOM 36 C LIG 1 -10.167 -0.024 -0.017 0.00 0.00 +0.001 C ATOM 37 C LIG 1 -9.771 -0.763 1.275 0.00 0.00 +0.008 C ENDBRANCH 31 34 ENDBRANCH 25 28 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 9 22 TORSDOF 7