REMARK Name = BDB027001 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.382 -1.760 -0.562 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.170 -3.260 -0.716 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -0.775 -4.065 0.365 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.585 -5.438 0.197 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -0.799 -6.026 -1.047 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.213 -5.245 -2.123 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.403 -3.872 -1.959 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 N LIG 1 -2.700 -1.517 0.079 0.00 0.00 -0.303 NA ATOM 9 H LIG 1 -2.584 -1.711 1.077 0.00 0.00 +0.123 HD BRANCH 8 10 ATOM 10 C LIG 1 -3.153 -0.131 -0.095 0.00 0.00 +0.089 C BRANCH 10 12 ATOM 11 C LIG 1 -4.524 -0.078 2.075 0.00 0.00 +0.014 C ATOM 12 C LIG 1 -4.537 0.118 0.553 0.00 0.00 +0.030 C BRANCH 12 13 ATOM 13 C LIG 1 -5.053 1.505 0.186 0.00 0.00 -0.043 A ATOM 14 C LIG 1 -6.169 1.631 -0.655 0.00 0.00 +0.005 A ATOM 15 C LIG 1 -6.655 2.891 -1.012 0.00 0.00 +0.019 A ATOM 16 C LIG 1 -6.030 4.046 -0.534 0.00 0.00 +0.052 A ATOM 17 C LIG 1 -4.916 3.933 0.302 0.00 0.00 +0.019 A ATOM 18 C LIG 1 -4.431 2.671 0.658 0.00 0.00 +0.005 A BRANCH 16 19 ATOM 19 C LIG 1 -6.528 5.339 -0.900 0.00 0.00 +0.099 C ATOM 20 N LIG 1 -6.930 6.386 -1.198 0.00 0.00 -0.191 NA ENDBRANCH 16 19 ENDBRANCH 12 13 ENDBRANCH 10 12 ENDBRANCH 8 10 ENDBRANCH 1 8 BRANCH 1 21 ATOM 21 C LIG 1 -0.233 -1.100 0.252 0.00 0.00 +0.188 C ATOM 22 O LIG 1 -0.395 -0.798 1.439 0.00 0.00 -0.290 OA BRANCH 21 23 ATOM 23 C LIG 1 1.040 -0.850 -0.422 0.00 0.00 +0.064 A ATOM 24 C LIG 1 2.151 -0.213 0.101 0.00 0.00 +0.077 A ATOM 25 N LIG 1 3.130 -0.194 -0.893 0.00 0.00 -0.239 N ATOM 26 C LIG 1 4.384 0.383 -0.700 0.00 0.00 +0.121 A ATOM 27 C LIG 1 4.720 0.960 0.473 0.00 0.00 +0.003 A ATOM 28 C LIG 1 3.696 0.935 1.527 0.00 0.00 +0.012 A ATOM 29 N LIG 1 2.680 -0.792 -2.025 0.00 0.00 -0.174 NA ATOM 30 C LIG 1 2.481 0.382 1.351 0.00 0.00 +0.029 A ATOM 31 C LIG 1 1.443 -1.189 -1.731 0.00 0.00 +0.146 A BRANCH 27 32 ATOM 32 C LIG 1 5.999 1.568 0.702 0.00 0.00 +0.021 A ATOM 33 C LIG 1 7.171 1.312 0.020 0.00 0.00 +0.116 A ATOM 34 N LIG 1 8.123 2.115 0.580 0.00 0.00 -0.274 N ATOM 35 C LIG 1 9.514 2.203 0.208 0.00 0.00 +0.172 C ATOM 36 N LIG 1 7.655 2.882 1.580 0.00 0.00 -0.179 NA ATOM 37 C LIG 1 6.363 2.550 1.651 0.00 0.00 +0.143 A ENDBRANCH 27 32 ENDBRANCH 21 23 ENDBRANCH 1 21 TORSDOF 9