REMARK Name = BDB040485 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.798 -1.977 -1.659 0.00 0.00 +0.224 C ATOM 2 N LIG 1 -0.535 -1.583 -1.255 0.00 0.00 -0.310 N ATOM 3 H LIG 1 -0.478 -0.760 -0.666 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 -1.975 -2.709 -2.630 0.00 0.00 -0.275 OA ENDROOT BRANCH 1 5 ATOM 5 C LIG 1 -2.954 -1.434 -0.776 0.00 0.00 +0.076 C ATOM 6 C LIG 1 -2.744 -2.078 0.629 0.00 0.00 +0.049 C ATOM 7 C LIG 1 -4.050 -2.505 1.296 0.00 0.00 +0.161 C ATOM 8 O LIG 1 -5.089 -1.590 0.986 0.00 0.00 -0.380 OA ATOM 9 C LIG 1 -5.470 -1.635 -0.390 0.00 0.00 +0.161 C ATOM 10 C LIG 1 -4.306 -1.936 -1.334 0.00 0.00 +0.049 C BRANCH 5 17 ATOM 11 C LIG 1 -3.676 3.144 2.533 0.00 0.00 +0.173 C ATOM 12 N LIG 1 -3.377 3.302 1.130 0.00 0.00 -0.267 N ATOM 13 C LIG 1 -3.178 2.293 0.217 0.00 0.00 +0.069 A ATOM 14 C LIG 1 -2.955 2.940 -0.993 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -2.749 2.175 -2.150 0.00 0.00 +0.012 A ATOM 16 C LIG 1 -2.763 0.777 -2.046 0.00 0.00 +0.005 A ATOM 17 C LIG 1 -2.957 0.116 -0.814 0.00 0.00 -0.030 A ATOM 18 C LIG 1 -3.015 4.315 -0.681 0.00 0.00 +0.142 A ATOM 19 C LIG 1 -3.187 0.894 0.337 0.00 0.00 +0.032 A ATOM 20 N LIG 1 -3.258 4.541 0.612 0.00 0.00 -0.179 NA ENDBRANCH 5 17 ENDBRANCH 1 5 BRANCH 2 21 ATOM 21 C LIG 1 0.615 -1.900 -2.066 0.00 0.00 +0.139 C BRANCH 21 22 ATOM 22 C LIG 1 1.884 -1.539 -1.346 0.00 0.00 -0.028 A ATOM 23 C LIG 1 2.510 -0.311 -1.565 0.00 0.00 +0.025 A ATOM 24 C LIG 1 3.685 0.041 -0.877 0.00 0.00 +0.047 A ATOM 25 CL LIG 1 4.292 1.617 -1.248 0.00 0.00 -0.083 Cl ATOM 26 C LIG 1 4.280 -0.832 0.057 0.00 0.00 +0.001 A ATOM 27 C LIG 1 3.606 -2.057 0.289 0.00 0.00 +0.047 A ATOM 28 CL LIG 1 4.152 -3.214 1.462 0.00 0.00 -0.083 Cl ATOM 29 C LIG 1 2.435 -2.402 -0.400 0.00 0.00 +0.025 A BRANCH 26 30 ATOM 30 C LIG 1 5.566 -0.531 0.830 0.00 0.00 +0.108 C ATOM 31 C LIG 1 6.658 0.200 0.062 0.00 0.00 +0.227 C ATOM 32 O LIG 1 7.149 -0.248 -0.973 0.00 0.00 -0.275 OA ATOM 33 N LIG 1 7.077 1.407 0.568 0.00 0.00 -0.256 N ATOM 34 H LIG 1 7.800 1.872 0.034 0.00 0.00 +0.157 HD ATOM 35 C LIG 1 6.429 2.199 1.480 0.00 0.00 +0.219 C ATOM 36 O LIG 1 6.778 3.361 1.671 0.00 0.00 -0.275 OA ATOM 37 C LIG 1 5.228 1.598 2.168 0.00 0.00 +0.097 C ATOM 38 C LIG 1 5.322 0.084 2.215 0.00 0.00 +0.027 C ENDBRANCH 26 30 ENDBRANCH 21 22 ENDBRANCH 2 21 TORSDOF 5