REMARK Name = BDB015972 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.212 2.072 -0.073 0.00 0.00 +0.164 A ATOM 2 N LIG 1 0.345 1.048 -0.196 0.00 0.00 -0.193 NA ATOM 3 C LIG 1 -0.968 1.361 -0.235 0.00 0.00 +0.227 A ATOM 4 C LIG 1 -1.467 2.645 -0.098 0.00 0.00 +0.065 A ATOM 5 C LIG 1 -0.488 3.611 0.029 0.00 0.00 +0.127 A ATOM 6 N LIG 1 0.840 3.359 0.040 0.00 0.00 -0.235 NA ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 4.484 0.104 -0.131 0.00 0.00 -0.014 A ATOM 8 C LIG 1 3.118 0.430 -0.174 0.00 0.00 +0.020 A ATOM 9 C LIG 1 2.654 1.756 -0.045 0.00 0.00 +0.020 A ATOM 10 C LIG 1 3.626 2.760 0.115 0.00 0.00 +0.011 A ATOM 11 C LIG 1 4.989 2.456 0.148 0.00 0.00 +0.001 A ATOM 12 C LIG 1 5.415 1.134 0.027 0.00 0.00 +0.008 A BRANCH 7 17 ATOM 13 C LIG 1 4.622 -4.855 0.086 0.00 0.00 +0.172 C ATOM 14 N LIG 1 4.965 -3.472 -0.138 0.00 0.00 -0.274 N ATOM 15 N LIG 1 6.170 -3.161 -0.649 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 6.144 -1.826 -0.713 0.00 0.00 +0.142 A ATOM 17 C LIG 1 4.925 -1.276 -0.249 0.00 0.00 +0.020 A ATOM 18 C LIG 1 4.186 -2.382 0.121 0.00 0.00 +0.116 A ENDBRANCH 7 17 ENDBRANCH 1 9 BRANCH 4 19 ATOM 19 C LIG 1 -2.877 2.981 -0.104 0.00 0.00 +0.026 A ATOM 20 C LIG 1 -3.447 4.027 0.597 0.00 0.00 +0.116 A ATOM 21 N LIG 1 -4.785 3.990 0.325 0.00 0.00 -0.274 N ATOM 22 C LIG 1 -5.803 4.876 0.835 0.00 0.00 +0.172 C ATOM 23 N LIG 1 -5.131 2.998 -0.512 0.00 0.00 -0.179 NA ATOM 24 C LIG 1 -3.974 2.383 -0.767 0.00 0.00 +0.143 A ENDBRANCH 4 19 BRANCH 3 25 ATOM 25 O LIG 1 -1.855 0.307 -0.304 0.00 0.00 -0.470 OA BRANCH 25 26 ATOM 26 C LIG 1 -1.372 -0.871 -0.982 0.00 0.00 +0.205 C ATOM 27 C LIG 1 -0.929 -1.957 0.027 0.00 0.00 +0.172 C ATOM 28 C LIG 1 -2.106 -2.405 0.924 0.00 0.00 +0.083 C ATOM 29 C LIG 1 -3.289 -2.892 0.083 0.00 0.00 +0.021 C ATOM 30 C LIG 1 -3.717 -1.858 -0.956 0.00 0.00 +0.005 C ATOM 31 C LIG 1 -2.542 -1.401 -1.824 0.00 0.00 +0.047 C BRANCH 28 32 ATOM 32 N LIG 1 -1.677 -3.482 1.832 0.00 0.00 -0.325 NA ATOM 33 H LIG 1 -0.782 -3.191 2.236 0.00 0.00 +0.119 HD ATOM 34 H LIG 1 -2.333 -3.548 2.608 0.00 0.00 +0.119 HD ENDBRANCH 28 32 BRANCH 27 35 ATOM 35 O LIG 1 0.158 -1.531 0.864 0.00 0.00 -0.387 OA ATOM 36 H LIG 1 0.281 -0.572 0.713 0.00 0.00 +0.210 HD ENDBRANCH 27 35 ENDBRANCH 25 26 ENDBRANCH 3 25 TORSDOF 7