REMARK Name = BDB055472 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.925 2.395 -0.314 0.00 0.00 +0.215 A ATOM 2 N LIG 1 -0.013 1.546 0.159 0.00 0.00 -0.200 NA ATOM 3 C LIG 1 -0.438 0.352 0.603 0.00 0.00 +0.127 A ATOM 4 C LIG 1 -1.779 0.016 0.556 0.00 0.00 +0.072 A ATOM 5 C LIG 1 -2.662 0.961 0.071 0.00 0.00 +0.078 A ATOM 6 N LIG 1 -2.235 2.164 -0.363 0.00 0.00 -0.215 NA ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -4.121 0.726 -0.027 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -4.862 1.325 -1.068 0.00 0.00 +0.037 A ATOM 9 C LIG 1 -6.240 1.081 -1.139 0.00 0.00 +0.068 A ATOM 10 C LIG 1 -6.916 0.279 -0.230 0.00 0.00 +0.041 A ATOM 11 C LIG 1 -8.267 0.304 -0.668 0.00 0.00 +0.146 A ATOM 12 N LIG 1 -8.432 1.048 -1.758 0.00 0.00 -0.158 NA ATOM 13 C LIG 1 -6.190 -0.312 0.818 0.00 0.00 +0.014 A ATOM 14 N LIG 1 -7.199 1.516 -2.013 0.00 0.00 -0.275 N ATOM 15 H LIG 1 -7.074 2.132 -2.808 0.00 0.00 +0.189 HD ATOM 16 C LIG 1 -4.807 -0.079 0.904 0.00 0.00 +0.011 A BRANCH 11 17 ATOM 17 N LIG 1 -9.275 -0.354 -0.075 0.00 0.00 -0.341 N ATOM 18 H LIG 1 -10.123 -0.430 -0.628 0.00 0.00 +0.144 HD ATOM 19 H LIG 1 -9.076 -1.186 0.464 0.00 0.00 +0.144 HD ENDBRANCH 11 17 ENDBRANCH 5 7 BRANCH 3 20 ATOM 20 N LIG 1 0.498 -0.598 1.081 0.00 0.00 -0.314 N ATOM 21 C LIG 1 1.893 -0.218 0.775 0.00 0.00 +0.119 C ATOM 22 C LIG 1 2.828 -1.384 1.118 0.00 0.00 +0.093 C ATOM 23 C LIG 1 2.659 -1.774 2.593 0.00 0.00 +0.016 C ATOM 24 C LIG 1 1.197 -2.081 2.905 0.00 0.00 +0.020 C ATOM 25 C LIG 1 0.283 -0.923 2.503 0.00 0.00 +0.106 C BRANCH 22 26 ATOM 26 C LIG 1 4.268 -0.992 0.797 0.00 0.00 +0.222 C ATOM 27 N LIG 1 4.511 -0.943 -0.567 0.00 0.00 -0.285 N ATOM 28 H LIG 1 3.747 -1.205 -1.179 0.00 0.00 +0.155 HD ATOM 29 O LIG 1 5.078 -0.750 1.685 0.00 0.00 -0.275 OA BRANCH 27 30 ATOM 30 C LIG 1 5.713 -0.593 -1.217 0.00 0.00 +0.033 A ATOM 31 C LIG 1 6.881 -0.215 -0.553 0.00 0.00 +0.023 A ATOM 32 C LIG 1 8.032 0.118 -1.276 0.00 0.00 +0.002 A ATOM 33 C LIG 1 8.024 0.077 -2.668 0.00 0.00 +0.000 A ATOM 34 C LIG 1 6.864 -0.298 -3.340 0.00 0.00 +0.002 A ATOM 35 C LIG 1 5.715 -0.631 -2.618 0.00 0.00 +0.023 A ENDBRANCH 27 30 ENDBRANCH 22 26 ENDBRANCH 3 20 BRANCH 1 36 ATOM 36 N LIG 1 -0.483 3.630 -0.745 0.00 0.00 -0.327 N ATOM 37 H LIG 1 -1.232 4.303 -0.663 0.00 0.00 +0.145 HD ATOM 38 H LIG 1 0.391 3.853 -0.290 0.00 0.00 +0.145 HD ENDBRANCH 1 36 TORSDOF 6