REMARK Name = BDB039470 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.132 -2.232 -1.363 0.00 0.00 +0.150 A ATOM 2 C LIG 1 -3.240 -1.152 -1.380 0.00 0.00 +0.132 A ATOM 3 C LIG 1 -3.827 0.126 -1.496 0.00 0.00 +0.097 A ATOM 4 C LIG 1 -2.953 1.219 -1.502 0.00 0.00 -0.004 A ATOM 5 C LIG 1 -1.567 1.011 -1.413 0.00 0.00 +0.035 A ATOM 6 C LIG 1 -1.073 -0.279 -1.307 0.00 0.00 +0.072 A ATOM 7 N LIG 1 -5.165 0.309 -1.618 0.00 0.00 -0.253 NA ATOM 8 C LIG 1 -5.970 -0.770 -1.627 0.00 0.00 +0.115 A ATOM 9 N LIG 1 -1.899 -1.345 -1.297 0.00 0.00 -0.241 NA ATOM 10 C LIG 1 -5.504 -2.057 -1.511 0.00 0.00 +0.067 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 0.366 -0.583 -1.200 0.00 0.00 +0.001 A ATOM 12 C LIG 1 1.229 0.208 -0.411 0.00 0.00 +0.016 A ATOM 13 C LIG 1 2.575 -0.121 -0.337 0.00 0.00 -0.017 A ATOM 14 C LIG 1 3.674 0.537 0.431 0.00 0.00 +0.144 C ATOM 15 N LIG 1 4.837 -0.262 0.065 0.00 0.00 -0.282 N ATOM 16 C LIG 1 4.505 -1.329 -0.756 0.00 0.00 +0.248 C ATOM 17 O LIG 1 5.232 -2.219 -1.151 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 3.070 -1.218 -1.036 0.00 0.00 +0.042 A ATOM 19 C LIG 1 2.268 -2.029 -1.811 0.00 0.00 +0.014 A ATOM 20 C LIG 1 0.911 -1.702 -1.886 0.00 0.00 +0.011 A BRANCH 15 21 ATOM 21 C LIG 1 6.136 -0.164 0.725 0.00 0.00 +0.163 C ATOM 22 C LIG 1 6.580 1.264 1.081 0.00 0.00 +0.240 C ATOM 23 O LIG 1 6.102 2.283 0.587 0.00 0.00 -0.273 OA ATOM 24 N LIG 1 7.603 1.361 1.997 0.00 0.00 -0.255 N ATOM 25 H LIG 1 7.881 2.303 2.236 0.00 0.00 +0.158 HD ATOM 26 C LIG 1 8.016 0.393 2.876 0.00 0.00 +0.219 C ATOM 27 O LIG 1 8.734 0.671 3.831 0.00 0.00 -0.275 OA ATOM 28 C LIG 1 7.567 -1.017 2.583 0.00 0.00 +0.098 C ATOM 29 C LIG 1 6.170 -1.033 1.984 0.00 0.00 +0.041 C ENDBRANCH 15 21 ENDBRANCH 6 11 BRANCH 1 30 ATOM 30 O LIG 1 -3.718 -3.545 -1.284 0.00 0.00 -0.487 OA BRANCH 30 32 ATOM 31 C LIG 1 -4.005 -4.701 0.796 0.00 0.00 +0.051 C ATOM 32 C LIG 1 -3.053 -3.860 -0.049 0.00 0.00 +0.167 C ATOM 33 C LIG 1 -1.797 -4.655 -0.385 0.00 0.00 +0.051 C ENDBRANCH 30 32 ENDBRANCH 1 30 BRANCH 4 34 ATOM 34 C LIG 1 -3.480 2.636 -1.597 0.00 0.00 +0.121 C BRANCH 34 35 ATOM 35 N LIG 1 -3.675 3.265 -0.285 0.00 0.00 -0.298 NA ATOM 36 C LIG 1 -4.506 4.466 -0.381 0.00 0.00 +0.085 C ATOM 37 C LIG 1 -4.329 5.093 0.991 0.00 0.00 +0.017 C ATOM 38 C LIG 1 -2.911 4.721 1.403 0.00 0.00 +0.017 C ATOM 39 C LIG 1 -2.442 3.706 0.365 0.00 0.00 +0.085 C ENDBRANCH 34 35 ENDBRANCH 4 34 TORSDOF 6