REMARK Name = BDB017431 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.809 2.325 -1.026 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -2.631 2.872 0.258 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -1.443 2.599 0.948 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -0.420 1.818 0.426 0.00 0.00 +0.027 A ATOM 5 C LIG 1 0.579 1.776 1.452 0.00 0.00 +0.102 A ATOM 6 N LIG 1 0.206 2.516 2.511 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 -0.573 1.306 -0.876 0.00 0.00 +0.012 A ATOM 8 N LIG 1 -1.004 2.989 2.181 0.00 0.00 -0.276 N ATOM 9 H LIG 1 -1.484 3.581 2.848 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -1.759 1.571 -1.577 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -4.238 -2.070 -0.711 0.00 0.00 +0.120 A ATOM 12 C LIG 1 -4.306 -0.671 -0.713 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -4.815 -0.023 -1.831 0.00 0.00 -0.007 A ATOM 14 C LIG 1 -5.017 1.426 -2.178 0.00 0.00 +0.081 C ATOM 15 C LIG 1 -4.079 2.561 -1.811 0.00 0.00 +0.040 C ATOM 16 C LIG 1 -5.650 1.391 -3.550 0.00 0.00 +0.228 C ATOM 17 N LIG 1 -5.756 0.061 -3.914 0.00 0.00 -0.284 N ATOM 18 H LIG 1 -6.152 -0.234 -4.793 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 -5.991 2.369 -4.193 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 -5.438 2.436 -1.149 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -5.272 -0.787 -2.916 0.00 0.00 +0.038 A ATOM 22 C LIG 1 -5.235 -2.164 -2.941 0.00 0.00 +0.027 A ATOM 23 C LIG 1 -4.707 -2.803 -1.818 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 -3.104 -2.153 1.379 0.00 0.00 +0.277 C ATOM 25 O LIG 1 -3.742 -2.840 0.307 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 1.857 1.074 1.451 0.00 0.00 +0.021 A ATOM 27 C LIG 1 2.009 -0.179 0.878 0.00 0.00 +0.123 A ATOM 28 N LIG 1 3.176 -0.874 0.840 0.00 0.00 -0.240 NA ATOM 29 C LIG 1 4.274 -0.325 1.403 0.00 0.00 +0.121 A ATOM 30 C LIG 1 4.194 0.920 2.031 0.00 0.00 +0.044 A ATOM 31 C LIG 1 2.986 1.622 2.053 0.00 0.00 +0.015 A BRANCH 29 32 ATOM 32 N LIG 1 5.484 -1.032 1.387 0.00 0.00 -0.313 N ATOM 33 C LIG 1 5.395 -2.382 0.805 0.00 0.00 +0.121 C ATOM 34 C LIG 1 6.695 -3.180 1.083 0.00 0.00 +0.100 C ATOM 35 N LIG 1 7.952 -2.397 1.139 0.00 0.00 -0.313 NA ATOM 36 H LIG 1 8.077 -2.128 2.118 0.00 0.00 +0.122 HD ATOM 37 C LIG 1 7.780 -1.148 0.378 0.00 0.00 +0.100 C ATOM 38 C LIG 1 6.652 -0.246 0.938 0.00 0.00 +0.121 C ENDBRANCH 29 32 ENDBRANCH 5 26 TORSDOF 4