REMARK Name = BDB004986 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.408 -2.683 -0.278 0.00 0.00 -0.029 A ATOM 2 C LIG 1 -0.667 -1.796 -0.097 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -1.878 -1.971 -0.780 0.00 0.00 +0.034 A ATOM 4 C LIG 1 -2.010 -3.055 -1.647 0.00 0.00 +0.023 A ATOM 5 C LIG 1 -0.948 -3.944 -1.837 0.00 0.00 +0.002 A ATOM 6 C LIG 1 0.257 -3.760 -1.159 0.00 0.00 +0.005 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -2.899 -1.031 -0.532 0.00 0.00 -0.281 N ATOM 8 H LIG 1 -2.664 -0.292 0.118 0.00 0.00 +0.155 HD ATOM 9 C LIG 1 -4.136 -0.951 -1.146 0.00 0.00 +0.248 C ATOM 10 O LIG 1 -4.546 -1.642 -2.070 0.00 0.00 -0.270 OA BRANCH 9 11 ATOM 11 C LIG 1 -5.017 0.133 -0.625 0.00 0.00 +0.039 A ATOM 12 C LIG 1 -5.069 0.423 0.749 0.00 0.00 +0.039 A ATOM 13 C LIG 1 -5.921 1.458 1.158 0.00 0.00 +0.047 A ATOM 14 C LIG 1 -6.705 2.188 0.263 0.00 0.00 -0.000 A ATOM 15 C LIG 1 -7.430 3.145 1.025 0.00 0.00 +0.027 A ATOM 16 C LIG 1 -7.083 2.980 2.346 0.00 0.00 +0.083 A ATOM 17 C LIG 1 -6.651 1.869 -1.107 0.00 0.00 +0.011 A ATOM 18 N LIG 1 -6.178 1.954 2.417 0.00 0.00 -0.361 N ATOM 19 H LIG 1 -5.758 1.609 3.270 0.00 0.00 +0.165 HD ATOM 20 C LIG 1 -5.809 0.836 -1.538 0.00 0.00 +0.014 A ENDBRANCH 9 11 ENDBRANCH 3 7 BRANCH 1 21 ATOM 21 C LIG 1 1.709 -2.461 0.460 0.00 0.00 +0.138 C BRANCH 21 22 ATOM 22 N LIG 1 2.311 -1.222 -0.020 0.00 0.00 -0.324 N ATOM 23 H LIG 1 2.415 -1.246 -1.032 0.00 0.00 +0.148 HD BRANCH 22 27 ATOM 24 C LIG 1 6.152 1.709 0.362 0.00 0.00 +0.063 A ATOM 25 C LIG 1 5.461 0.547 0.768 0.00 0.00 +0.088 A ATOM 26 C LIG 1 4.222 0.280 0.154 0.00 0.00 +0.041 A ATOM 27 C LIG 1 3.553 -0.893 0.564 0.00 0.00 +0.130 A ATOM 28 N LIG 1 4.041 -1.699 1.519 0.00 0.00 -0.220 NA ATOM 29 C LIG 1 5.215 -1.358 2.045 0.00 0.00 +0.223 A ATOM 30 C LIG 1 3.699 1.172 -0.816 0.00 0.00 +0.013 A ATOM 31 C LIG 1 4.394 2.311 -1.199 0.00 0.00 +0.002 A ATOM 32 N LIG 1 5.948 -0.289 1.712 0.00 0.00 -0.235 NA ATOM 33 C LIG 1 5.620 2.576 -0.613 0.00 0.00 +0.015 A BRANCH 24 37 ATOM 34 N LIG 1 8.060 1.314 1.864 0.00 0.00 -0.325 N ATOM 35 H LIG 1 8.950 1.585 2.256 0.00 0.00 +0.145 HD ATOM 36 H LIG 1 7.596 0.471 2.191 0.00 0.00 +0.145 HD ATOM 37 C LIG 1 7.481 2.112 0.923 0.00 0.00 +0.244 C ATOM 38 O LIG 1 8.050 3.135 0.555 0.00 0.00 -0.270 OA ENDBRANCH 24 37 ENDBRANCH 22 27 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 6