REMARK Name = BDB022876 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.268 -3.984 -0.099 0.00 0.00 +0.028 C ATOM 2 C LIG 1 -2.103 -3.078 -0.517 0.00 0.00 +0.078 C ATOM 3 N LIG 1 -2.300 -1.694 -0.019 0.00 0.00 -0.292 N ATOM 4 C LIG 1 -3.280 -0.915 -0.630 0.00 0.00 +0.220 C ATOM 5 O LIG 1 -3.909 -1.343 -1.602 0.00 0.00 -0.275 OA ATOM 6 C LIG 1 -1.389 -1.228 1.036 0.00 0.00 +0.163 C ATOM 7 C LIG 1 0.046 -1.510 0.657 0.00 0.00 +0.067 A ATOM 8 C LIG 1 0.330 -2.738 0.095 0.00 0.00 -0.005 A ATOM 9 C LIG 1 1.650 -2.958 -0.205 0.00 0.00 +0.120 A ATOM 10 N LIG 1 2.614 -2.044 0.007 0.00 0.00 -0.223 NA ATOM 11 C LIG 1 2.246 -0.876 0.555 0.00 0.00 +0.216 A ATOM 12 N LIG 1 0.986 -0.570 0.889 0.00 0.00 -0.218 NA ATOM 13 C LIG 1 -0.767 -3.736 -0.078 0.00 0.00 +0.060 C ENDROOT BRANCH 4 14 ATOM 14 C LIG 1 -3.525 0.505 -0.109 0.00 0.00 +0.085 C ATOM 15 C LIG 1 -4.971 0.973 -0.428 0.00 0.00 +0.045 C ATOM 16 C LIG 1 -5.019 2.509 -0.567 0.00 0.00 +0.093 C ATOM 17 N LIG 1 -4.146 3.042 -1.628 0.00 0.00 -0.305 NA ATOM 18 C LIG 1 -4.902 3.373 -2.836 0.00 0.00 +0.104 C ATOM 19 C LIG 1 -3.014 2.166 -1.954 0.00 0.00 +0.085 C ATOM 20 C LIG 1 -2.473 1.453 -0.716 0.00 0.00 +0.029 C BRANCH 15 21 ATOM 21 C LIG 1 -5.950 0.432 0.610 0.00 0.00 -0.042 A ATOM 22 C LIG 1 -6.082 1.001 1.885 0.00 0.00 +0.004 A ATOM 23 C LIG 1 -6.973 0.462 2.816 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -7.739 -0.654 2.489 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -7.610 -1.237 1.231 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -6.721 -0.700 0.299 0.00 0.00 +0.004 A ENDBRANCH 15 21 ENDBRANCH 4 14 BRANCH 11 27 ATOM 27 N LIG 1 3.182 0.116 0.812 0.00 0.00 -0.311 N ATOM 28 H LIG 1 2.637 0.964 0.927 0.00 0.00 +0.149 HD BRANCH 27 29 ATOM 29 C LIG 1 4.302 0.197 -0.123 0.00 0.00 +0.076 C ATOM 30 C LIG 1 4.751 1.664 -0.233 0.00 0.00 +0.037 C ATOM 31 C LIG 1 6.206 1.744 -0.685 0.00 0.00 +0.086 C ATOM 32 N LIG 1 7.131 1.174 0.311 0.00 0.00 -0.295 NA ATOM 33 C LIG 1 6.525 0.077 1.090 0.00 0.00 +0.086 C ATOM 34 C LIG 1 5.460 -0.708 0.330 0.00 0.00 +0.037 C BRANCH 32 35 ATOM 35 C LIG 1 8.363 0.711 -0.364 0.00 0.00 +0.108 C ATOM 36 C LIG 1 9.524 0.570 0.639 0.00 0.00 +0.181 C ATOM 37 O LIG 1 10.380 1.392 -0.204 0.00 0.00 -0.377 OA ATOM 38 C LIG 1 9.198 1.897 -0.885 0.00 0.00 +0.181 C ENDBRANCH 32 35 ENDBRANCH 27 29 ENDBRANCH 11 27 TORSDOF 5