REMARK Name = BDB019828 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.193 -1.223 0.350 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -1.163 -2.015 -0.274 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -2.529 -1.751 -0.100 0.00 0.00 -0.017 A ATOM 4 C LIG 1 -2.903 -0.672 0.719 0.00 0.00 +0.014 A ATOM 5 C LIG 1 -1.944 0.122 1.371 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -0.585 -0.164 1.180 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -3.550 -2.567 -0.774 0.00 0.00 -0.015 A ATOM 8 C LIG 1 -3.809 -3.912 -0.414 0.00 0.00 -0.040 A ATOM 9 C LIG 1 -3.054 -4.601 0.692 0.00 0.00 +0.044 C ATOM 10 C LIG 1 -4.783 -4.639 -1.119 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -5.502 -4.040 -2.147 0.00 0.00 +0.124 A ATOM 12 F LIG 1 -6.430 -4.748 -2.803 0.00 0.00 -0.205 F ATOM 13 C LIG 1 -5.273 -2.720 -2.500 0.00 0.00 +0.039 A ATOM 14 C LIG 1 -4.301 -1.988 -1.818 0.00 0.00 +0.011 A ENDBRANCH 3 7 BRANCH 1 17 ATOM 15 N LIG 1 2.120 -0.505 0.197 0.00 0.00 -0.303 N ATOM 16 H LIG 1 1.808 0.456 0.262 0.00 0.00 +0.150 HD ATOM 17 C LIG 1 1.240 -1.553 0.125 0.00 0.00 +0.245 C ATOM 18 O LIG 1 1.578 -2.703 -0.131 0.00 0.00 -0.270 OA BRANCH 15 19 ATOM 19 C LIG 1 3.548 -0.655 -0.025 0.00 0.00 +0.125 C BRANCH 19 22 ATOM 20 C LIG 1 5.759 1.825 -1.873 0.00 0.00 +0.123 A ATOM 21 C LIG 1 5.255 0.623 -1.387 0.00 0.00 +0.070 A ATOM 22 C LIG 1 4.121 0.650 -0.574 0.00 0.00 +0.065 A ATOM 23 N LIG 1 3.480 1.810 -0.244 0.00 0.00 -0.258 NA ATOM 24 C LIG 1 3.997 2.957 -0.732 0.00 0.00 +0.114 A ATOM 25 C LIG 1 5.119 3.013 -1.538 0.00 0.00 +0.065 A BRANCH 20 27 ATOM 26 C LIG 1 7.542 0.785 -3.057 0.00 0.00 +0.277 C ATOM 27 O LIG 1 6.859 1.972 -2.673 0.00 0.00 -0.495 OA ENDBRANCH 20 27 ENDBRANCH 19 22 BRANCH 19 28 ATOM 28 C LIG 1 4.181 -1.119 1.268 0.00 0.00 +0.015 C ATOM 29 C LIG 1 4.197 -0.247 2.505 0.00 0.00 +0.006 C ATOM 30 C LIG 1 5.492 -0.618 1.837 0.00 0.00 +0.006 C ENDBRANCH 19 28 ENDBRANCH 15 19 ENDBRANCH 1 17 BRANCH 5 31 ATOM 31 C LIG 1 -2.372 1.280 2.246 0.00 0.00 +0.159 C BRANCH 31 32 ATOM 32 N LIG 1 -2.799 2.409 1.448 0.00 0.00 -0.313 N ATOM 33 C LIG 1 -4.125 2.727 1.124 0.00 0.00 +0.204 A ATOM 34 N LIG 1 -5.222 2.165 1.486 0.00 0.00 -0.268 NA ATOM 35 H LIG 1 -5.026 1.386 2.111 0.00 0.00 +0.190 HD ATOM 36 N LIG 1 -4.014 3.833 0.277 0.00 0.00 -0.320 N ATOM 37 C LIG 1 -5.143 4.426 -0.395 0.00 0.00 +0.152 C ATOM 38 C LIG 1 -2.680 4.137 0.063 0.00 0.00 +0.106 A ATOM 39 C LIG 1 -1.941 3.279 0.778 0.00 0.00 +0.107 A ENDBRANCH 31 32 ENDBRANCH 5 31 TORSDOF 8