REMARK Name = BDB000134 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.335 -0.719 0.676 0.00 0.00 +0.222 A ATOM 2 N LIG 1 1.663 -1.713 1.256 0.00 0.00 -0.221 NA ATOM 3 C LIG 1 0.335 -1.769 1.020 0.00 0.00 +0.139 A ATOM 4 C LIG 1 -0.365 -0.892 0.211 0.00 0.00 +0.069 A ATOM 5 C LIG 1 0.433 0.115 -0.297 0.00 0.00 +0.139 A ATOM 6 N LIG 1 1.770 0.222 -0.095 0.00 0.00 -0.221 NA ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 4.538 -1.395 1.533 0.00 0.00 +0.250 C ATOM 8 N LIG 1 3.701 -0.556 0.843 0.00 0.00 -0.250 N ATOM 9 H LIG 1 4.052 0.236 0.332 0.00 0.00 +0.158 HD ATOM 10 O LIG 1 4.242 -2.454 2.073 0.00 0.00 -0.270 OA BRANCH 7 14 ATOM 11 C LIG 1 8.671 -0.249 1.654 0.00 0.00 +0.106 A ATOM 12 C LIG 1 7.689 0.747 1.622 0.00 0.00 +0.029 A ATOM 13 C LIG 1 6.337 0.390 1.580 0.00 0.00 +0.015 A ATOM 14 C LIG 1 5.967 -0.963 1.576 0.00 0.00 +0.037 A ATOM 15 C LIG 1 6.958 -1.952 1.656 0.00 0.00 +0.015 A ATOM 16 C LIG 1 8.309 -1.598 1.701 0.00 0.00 +0.029 A BRANCH 11 17 ATOM 17 S LIG 1 10.395 0.210 1.759 0.00 0.00 +0.061 S ATOM 18 O LIG 1 11.089 -0.885 2.399 0.00 0.00 -0.153 OA ATOM 19 O LIG 1 10.445 1.548 2.313 0.00 0.00 -0.153 OA BRANCH 17 20 ATOM 20 N LIG 1 10.884 0.297 0.121 0.00 0.00 -0.177 NA BRANCH 20 21 ATOM 21 C LIG 1 11.046 -0.984 -0.618 0.00 0.00 +0.109 C BRANCH 21 22 ATOM 22 C LIG 1 12.421 -1.614 -0.396 0.00 0.00 +0.014 C ATOM 23 C LIG 1 13.566 -0.785 -0.955 0.00 0.00 +0.005 C ENDBRANCH 21 22 ENDBRANCH 20 21 BRANCH 20 24 ATOM 24 C LIG 1 10.270 1.387 -0.686 0.00 0.00 +0.109 C BRANCH 24 26 ATOM 25 C LIG 1 12.250 2.969 -0.616 0.00 0.00 +0.005 C ATOM 26 C LIG 1 11.330 2.131 -1.494 0.00 0.00 +0.014 C ENDBRANCH 24 26 ENDBRANCH 20 24 ENDBRANCH 17 20 ENDBRANCH 11 17 ENDBRANCH 7 14 ENDBRANCH 1 8 BRANCH 4 27 ATOM 27 N LIG 1 -1.761 -0.971 0.078 0.00 0.00 -0.297 N ATOM 28 H LIG 1 -2.111 -1.894 0.319 0.00 0.00 +0.154 HD BRANCH 27 29 ATOM 29 C LIG 1 -2.570 -0.431 -0.958 0.00 0.00 +0.134 A ATOM 30 C LIG 1 -3.969 -0.388 -0.784 0.00 0.00 +0.044 A ATOM 31 C LIG 1 -4.695 0.113 -1.871 0.00 0.00 +0.080 A ATOM 32 C LIG 1 -6.080 0.173 -1.787 0.00 0.00 +0.078 A ATOM 33 C LIG 1 -6.772 -0.240 -0.644 0.00 0.00 +0.164 A ATOM 34 C LIG 1 -6.054 -0.725 0.460 0.00 0.00 +0.162 A ATOM 35 N LIG 1 -4.111 0.538 -2.994 0.00 0.00 -0.235 NA ATOM 36 C LIG 1 -2.777 0.476 -3.042 0.00 0.00 +0.223 A ATOM 37 C LIG 1 -4.662 -0.797 0.386 0.00 0.00 +0.062 A ATOM 38 N LIG 1 -1.976 0.016 -2.078 0.00 0.00 -0.220 NA BRANCH 34 39 ATOM 39 O LIG 1 -6.797 -1.104 1.548 0.00 0.00 -0.491 OA ATOM 40 C LIG 1 -6.106 -1.457 2.737 0.00 0.00 +0.277 C ENDBRANCH 34 39 BRANCH 33 41 ATOM 41 O LIG 1 -8.136 -0.209 -0.507 0.00 0.00 -0.488 OA BRANCH 41 42 ATOM 42 C LIG 1 -8.906 0.351 -1.568 0.00 0.00 +0.230 C BRANCH 42 43 ATOM 43 C LIG 1 -10.384 0.313 -1.178 0.00 0.00 +0.056 C BRANCH 43 44 ATOM 44 C LIG 1 -10.666 1.190 0.053 0.00 0.00 +0.088 C BRANCH 44 45 ATOM 45 N LIG 1 -12.065 1.274 0.484 0.00 0.00 -0.298 NA ATOM 46 C LIG 1 -12.996 1.827 -0.511 0.00 0.00 +0.112 C ATOM 47 C LIG 1 -13.982 0.786 -1.067 0.00 0.00 +0.175 C ATOM 48 O LIG 1 -14.771 0.149 -0.053 0.00 0.00 -0.377 OA ATOM 49 C LIG 1 -14.105 0.068 1.216 0.00 0.00 +0.175 C ATOM 50 C LIG 1 -12.574 0.031 1.087 0.00 0.00 +0.112 C ENDBRANCH 44 45 ENDBRANCH 43 44 ENDBRANCH 42 43 ENDBRANCH 41 42 ENDBRANCH 33 41 ENDBRANCH 27 29 ENDBRANCH 4 27 TORSDOF 16