REMARK Name = BDB032174 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.980 0.127 2.317 0.00 0.00 +0.126 A ATOM 2 C LIG 1 -3.752 0.281 1.180 0.00 0.00 +0.024 A ATOM 3 C LIG 1 -5.172 -0.107 0.940 0.00 0.00 +0.148 C ATOM 4 N LIG 1 -5.367 0.243 -0.463 0.00 0.00 -0.281 N ATOM 5 C LIG 1 -4.268 0.903 -0.991 0.00 0.00 +0.248 C ATOM 6 O LIG 1 -4.152 1.406 -2.091 0.00 0.00 -0.270 OA ATOM 7 C LIG 1 -3.227 0.888 0.042 0.00 0.00 +0.045 A ATOM 8 C LIG 1 -1.935 1.370 -0.022 0.00 0.00 +0.020 A ATOM 9 C LIG 1 -1.135 1.233 1.120 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -1.661 0.602 2.277 0.00 0.00 +0.053 A ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -6.674 0.284 -1.106 0.00 0.00 +0.163 C ATOM 12 C LIG 1 -7.557 1.417 -0.555 0.00 0.00 +0.240 C ATOM 13 O LIG 1 -7.152 2.335 0.155 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 -8.886 1.351 -0.910 0.00 0.00 -0.255 N ATOM 15 H LIG 1 -9.463 2.091 -0.533 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 -9.568 0.220 -1.279 0.00 0.00 +0.219 C ATOM 17 O LIG 1 -10.794 0.178 -1.239 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 -8.734 -0.948 -1.753 0.00 0.00 +0.098 C ATOM 19 C LIG 1 -7.426 -1.037 -0.982 0.00 0.00 +0.041 C ENDBRANCH 4 11 BRANCH 1 21 ATOM 20 C LIG 1 -2.840 -0.582 4.578 0.00 0.00 +0.277 C ATOM 21 O LIG 1 -3.589 -0.485 3.372 0.00 0.00 -0.495 OA ENDBRANCH 1 21 BRANCH 9 22 ATOM 22 C LIG 1 0.295 1.714 1.102 0.00 0.00 +0.269 C BRANCH 22 23 ATOM 23 O LIG 1 1.093 0.666 0.547 0.00 0.00 -0.445 OA BRANCH 23 24 ATOM 24 C LIG 1 2.421 0.945 0.524 0.00 0.00 +0.405 C ATOM 25 N LIG 1 3.067 -0.114 -0.045 0.00 0.00 -0.250 N ATOM 26 H LIG 1 2.452 -0.862 -0.333 0.00 0.00 +0.158 HD ATOM 27 O LIG 1 2.912 1.978 0.951 0.00 0.00 -0.226 OA BRANCH 25 28 ATOM 28 C LIG 1 4.447 -0.256 -0.270 0.00 0.00 +0.055 A ATOM 29 C LIG 1 5.412 0.684 0.066 0.00 0.00 +0.134 A ATOM 30 N LIG 1 6.742 0.524 -0.163 0.00 0.00 -0.253 NA ATOM 31 C LIG 1 7.162 -0.625 -0.749 0.00 0.00 +0.071 A ATOM 32 C LIG 1 6.254 -1.614 -1.123 0.00 0.00 +0.030 A ATOM 33 C LIG 1 4.891 -1.427 -0.880 0.00 0.00 +0.027 A BRANCH 31 34 ATOM 34 C LIG 1 8.619 -0.741 -0.971 0.00 0.00 +0.000 A ATOM 35 C LIG 1 9.287 -1.980 -0.940 0.00 0.00 +0.010 A ATOM 36 C LIG 1 10.666 -2.070 -1.158 0.00 0.00 +0.001 A ATOM 37 C LIG 1 11.410 -0.921 -1.410 0.00 0.00 +0.000 A ATOM 38 C LIG 1 10.778 0.318 -1.437 0.00 0.00 +0.001 A ATOM 39 C LIG 1 9.400 0.404 -1.217 0.00 0.00 +0.010 A ENDBRANCH 31 34 ENDBRANCH 25 28 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 9 22 TORSDOF 7