REMARK Name = BDB028881 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.860 3.509 3.348 0.00 0.00 +0.153 C ATOM 2 N LIG 1 4.604 2.965 2.882 0.00 0.00 -0.302 N ATOM 3 C LIG 1 4.633 2.128 1.759 0.00 0.00 +0.263 A ATOM 4 O LIG 1 5.667 1.842 1.159 0.00 0.00 -0.267 OA ATOM 5 C LIG 1 3.323 1.641 1.376 0.00 0.00 +0.091 A ATOM 6 C LIG 1 2.847 0.774 0.352 0.00 0.00 +0.014 A ATOM 7 C LIG 1 1.475 0.685 0.525 0.00 0.00 +0.097 A ATOM 8 N LIG 1 1.116 1.477 1.591 0.00 0.00 -0.322 N ATOM 9 C LIG 1 2.239 2.039 2.132 0.00 0.00 +0.149 A ATOM 10 N LIG 1 2.239 2.843 3.220 0.00 0.00 -0.219 NA ATOM 11 C LIG 1 3.422 3.270 3.541 0.00 0.00 +0.204 A ENDROOT BRANCH 6 12 ATOM 12 C LIG 1 3.547 0.071 -0.711 0.00 0.00 -0.015 A ATOM 13 C LIG 1 3.274 -1.279 -0.973 0.00 0.00 +0.025 A ATOM 14 C LIG 1 3.936 -1.970 -2.002 0.00 0.00 +0.078 A ATOM 15 C LIG 1 4.888 -1.285 -2.773 0.00 0.00 +0.129 A ATOM 16 C LIG 1 5.164 0.061 -2.521 0.00 0.00 +0.047 A ATOM 17 C LIG 1 4.493 0.734 -1.497 0.00 0.00 +0.012 A BRANCH 14 18 ATOM 18 C LIG 1 3.563 -3.405 -2.196 0.00 0.00 +0.245 C ATOM 19 O LIG 1 2.690 -3.943 -1.524 0.00 0.00 -0.270 OA ATOM 20 N LIG 1 4.224 -4.111 -3.156 0.00 0.00 -0.325 N ATOM 21 H LIG 1 4.929 -3.666 -3.734 0.00 0.00 +0.145 HD ATOM 22 H LIG 1 3.974 -5.077 -3.313 0.00 0.00 +0.145 HD ENDBRANCH 14 18 BRANCH 15 23 ATOM 23 O LIG 1 5.568 -1.912 -3.787 0.00 0.00 -0.506 OA ATOM 24 H LIG 1 6.198 -1.279 -4.174 0.00 0.00 +0.292 HD ENDBRANCH 15 23 ENDBRANCH 6 12 BRANCH 8 25 ATOM 25 C LIG 1 -0.246 1.634 2.087 0.00 0.00 +0.219 C BRANCH 25 26 ATOM 26 C LIG 1 -1.065 2.529 1.176 0.00 0.00 +0.237 C ATOM 27 N LIG 1 -2.277 2.110 0.689 0.00 0.00 -0.283 N ATOM 28 H LIG 1 -2.526 2.628 -0.148 0.00 0.00 +0.155 HD ATOM 29 O LIG 1 -0.642 3.612 0.760 0.00 0.00 -0.274 OA BRANCH 27 30 ATOM 30 C LIG 1 -3.099 1.020 1.042 0.00 0.00 +0.057 A ATOM 31 C LIG 1 -3.389 0.608 2.342 0.00 0.00 +0.080 A ATOM 32 CL LIG 1 -2.947 1.482 3.758 0.00 0.00 -0.080 Cl ATOM 33 C LIG 1 -4.208 -0.498 2.491 0.00 0.00 +0.134 A ATOM 34 N LIG 1 -4.764 -1.183 1.463 0.00 0.00 -0.239 NA ATOM 35 C LIG 1 -4.553 -0.745 0.205 0.00 0.00 +0.123 A ATOM 36 C LIG 1 -3.726 0.356 -0.022 0.00 0.00 +0.068 A BRANCH 35 37 ATOM 37 N LIG 1 -5.125 -1.440 -0.850 0.00 0.00 -0.311 N ATOM 38 C LIG 1 -5.694 -0.697 -1.988 0.00 0.00 +0.134 C ATOM 39 C LIG 1 -7.132 -1.159 -2.281 0.00 0.00 +0.178 C ATOM 40 O LIG 1 -7.242 -2.562 -2.556 0.00 0.00 -0.377 OA ATOM 41 C LIG 1 -6.325 -3.364 -1.794 0.00 0.00 +0.178 C ATOM 42 C LIG 1 -5.827 -2.689 -0.506 0.00 0.00 +0.134 C ENDBRANCH 35 37 ENDBRANCH 27 30 ENDBRANCH 25 26 ENDBRANCH 8 25 TORSDOF 7