REMARK Name = BDB004066 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.483 -2.175 1.304 0.00 0.00 -0.299 N ATOM 2 H LIG 1 1.680 -1.190 1.155 0.00 0.00 +0.154 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 0.683 -2.308 2.472 0.00 0.00 +0.134 A ATOM 4 C LIG 1 -0.516 -1.570 2.558 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -1.231 -1.711 3.753 0.00 0.00 +0.079 A ATOM 6 C LIG 1 -2.418 -1.005 3.907 0.00 0.00 +0.074 A ATOM 7 C LIG 1 -2.929 -0.165 2.911 0.00 0.00 +0.123 A ATOM 8 C LIG 1 -2.234 -0.036 1.717 0.00 0.00 +0.046 A ATOM 9 N LIG 1 -0.819 -2.498 4.751 0.00 0.00 -0.235 NA ATOM 10 C LIG 1 0.321 -3.167 4.556 0.00 0.00 +0.223 A ATOM 11 C LIG 1 -1.036 -0.732 1.539 0.00 0.00 +0.017 A ATOM 12 N LIG 1 1.093 -3.114 3.468 0.00 0.00 -0.220 NA BRANCH 7 13 ATOM 13 O LIG 1 -4.109 0.442 3.233 0.00 0.00 -0.492 OA BRANCH 13 14 ATOM 14 C LIG 1 -4.676 1.390 2.324 0.00 0.00 +0.230 C BRANCH 14 15 ATOM 15 C LIG 1 -5.595 0.685 1.328 0.00 0.00 +0.056 C BRANCH 15 16 ATOM 16 C LIG 1 -6.181 1.637 0.281 0.00 0.00 +0.088 C BRANCH 16 17 ATOM 17 N LIG 1 -6.960 2.748 0.845 0.00 0.00 -0.298 NA ATOM 18 C LIG 1 -7.351 3.728 -0.194 0.00 0.00 +0.112 C ATOM 19 C LIG 1 -8.798 3.561 -0.683 0.00 0.00 +0.175 C ATOM 20 O LIG 1 -9.767 3.699 0.365 0.00 0.00 -0.377 OA ATOM 21 C LIG 1 -9.252 3.345 1.656 0.00 0.00 +0.175 C ATOM 22 C LIG 1 -8.155 2.272 1.581 0.00 0.00 +0.112 C ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 7 13 ENDBRANCH 1 3 BRANCH 1 27 ATOM 23 C LIG 1 5.800 -5.410 -0.668 0.00 0.00 +0.045 C ATOM 24 C LIG 1 4.692 -4.527 -0.157 0.00 0.00 -0.029 A ATOM 25 C LIG 1 4.602 -3.162 -0.509 0.00 0.00 +0.038 A ATOM 26 C LIG 1 3.522 -2.423 0.006 0.00 0.00 +0.046 A ATOM 27 C LIG 1 2.569 -2.976 0.882 0.00 0.00 +0.034 A ATOM 28 C LIG 1 2.672 -4.331 1.188 0.00 0.00 +0.023 A ATOM 29 C LIG 1 3.724 -5.096 0.686 0.00 0.00 +0.007 A BRANCH 25 30 ATOM 30 N LIG 1 5.551 -2.601 -1.378 0.00 0.00 -0.283 N ATOM 31 H LIG 1 6.347 -3.172 -1.618 0.00 0.00 +0.155 HD BRANCH 30 32 ATOM 32 C LIG 1 5.740 -1.344 -1.944 0.00 0.00 +0.219 A ATOM 33 N LIG 1 6.866 -1.218 -2.665 0.00 0.00 -0.222 NA ATOM 34 C LIG 1 7.104 -0.021 -3.247 0.00 0.00 +0.124 A ATOM 35 C LIG 1 6.275 1.077 -3.149 0.00 0.00 +0.020 A ATOM 36 C LIG 1 5.150 0.836 -2.386 0.00 0.00 +0.124 A ATOM 37 N LIG 1 4.864 -0.342 -1.787 0.00 0.00 -0.222 NA BRANCH 35 38 ATOM 38 C LIG 1 6.556 2.364 -3.788 0.00 0.00 +0.003 A ATOM 39 C LIG 1 7.810 2.972 -3.702 0.00 0.00 +0.119 A ATOM 40 N LIG 1 8.137 4.157 -4.273 0.00 0.00 -0.263 NA ATOM 41 C LIG 1 7.168 4.783 -4.969 0.00 0.00 +0.111 A ATOM 42 C LIG 1 5.888 4.279 -5.120 0.00 0.00 +0.020 A ATOM 43 C LIG 1 5.584 3.057 -4.521 0.00 0.00 +0.011 A ENDBRANCH 35 38 ENDBRANCH 30 32 ENDBRANCH 25 30 ENDBRANCH 1 27 TORSDOF 10