REMARK Name = BDB031844 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.402 -0.413 -1.254 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -2.485 -1.375 -0.788 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -1.117 -1.083 -0.848 0.00 0.00 +0.068 A ATOM 4 C LIG 1 -0.613 0.097 -1.374 0.00 0.00 +0.041 A ATOM 5 C LIG 1 0.809 -0.008 -1.240 0.00 0.00 +0.152 A ATOM 6 N LIG 1 1.148 -1.161 -0.654 0.00 0.00 -0.158 NA ATOM 7 C LIG 1 -1.521 1.045 -1.881 0.00 0.00 +0.014 A ATOM 8 N LIG 1 -0.018 -1.790 -0.452 0.00 0.00 -0.275 N ATOM 9 H LIG 1 0.002 -2.708 -0.025 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -2.897 0.773 -1.813 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -3.516 -0.208 3.365 0.00 0.00 +0.120 A ATOM 12 C LIG 1 -3.917 0.005 2.040 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -4.948 -0.764 1.515 0.00 0.00 -0.007 A ATOM 14 C LIG 1 -5.603 -0.823 0.163 0.00 0.00 +0.081 C ATOM 15 C LIG 1 -4.890 -0.669 -1.167 0.00 0.00 +0.040 C ATOM 16 C LIG 1 -6.676 -1.875 0.321 0.00 0.00 +0.228 C ATOM 17 N LIG 1 -6.592 -2.350 1.618 0.00 0.00 -0.284 N ATOM 18 H LIG 1 -7.207 -3.064 1.977 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 -7.456 -2.224 -0.549 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 -5.831 0.408 -0.664 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -5.582 -1.709 2.337 0.00 0.00 +0.038 A ATOM 22 C LIG 1 -5.228 -1.930 3.650 0.00 0.00 +0.027 A ATOM 23 C LIG 1 -4.178 -1.165 4.160 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 -1.682 1.297 3.199 0.00 0.00 +0.277 C ATOM 25 O LIG 1 -2.499 0.451 4.002 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 1.633 0.981 -1.657 0.00 0.00 -0.295 N ATOM 27 H LIG 1 1.219 1.828 -2.039 0.00 0.00 +0.154 HD BRANCH 26 28 ATOM 28 C LIG 1 3.045 1.113 -1.670 0.00 0.00 +0.075 A ATOM 29 C LIG 1 3.592 2.357 -2.077 0.00 0.00 +0.141 A ATOM 30 C LIG 1 4.977 2.550 -2.095 0.00 0.00 +0.048 A ATOM 31 C LIG 1 5.828 1.516 -1.702 0.00 0.00 +0.017 A ATOM 32 C LIG 1 5.299 0.294 -1.282 0.00 0.00 +0.039 A ATOM 33 C LIG 1 3.915 0.086 -1.292 0.00 0.00 +0.040 A BRANCH 32 34 ATOM 34 C LIG 1 6.237 -0.792 -0.902 0.00 0.00 +0.246 C ATOM 35 N LIG 1 5.989 -1.550 0.242 0.00 0.00 -0.304 N ATOM 36 C LIG 1 6.828 -2.710 0.486 0.00 0.00 +0.132 C ATOM 37 C LIG 1 5.153 -1.122 1.355 0.00 0.00 +0.132 C ATOM 38 O LIG 1 7.210 -0.976 -1.631 0.00 0.00 -0.270 OA ENDBRANCH 32 34 BRANCH 29 39 ATOM 39 O LIG 1 2.662 3.309 -2.434 0.00 0.00 -0.493 OA ATOM 40 C LIG 1 3.162 4.521 -2.987 0.00 0.00 +0.277 C ENDBRANCH 29 39 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 6