REMARK Name = BDB031785 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.977 1.167 -2.359 0.00 0.00 -0.041 A ATOM 2 C LIG 1 1.295 0.203 -3.125 0.00 0.00 +0.031 A ATOM 3 C LIG 1 0.026 -0.214 -2.706 0.00 0.00 +0.068 A ATOM 4 C LIG 1 -0.604 0.286 -1.575 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -1.858 -0.400 -1.512 0.00 0.00 +0.153 A ATOM 6 N LIG 1 -1.989 -1.255 -2.530 0.00 0.00 -0.157 NA ATOM 7 C LIG 1 0.061 1.264 -0.815 0.00 0.00 +0.014 A ATOM 8 N LIG 1 -0.851 -1.121 -3.228 0.00 0.00 -0.275 N ATOM 9 H LIG 1 -0.731 -1.686 -4.061 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 1.334 1.691 -1.224 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 4.226 -0.834 1.219 0.00 0.00 +0.120 A ATOM 12 C LIG 1 3.962 -0.404 -0.090 0.00 0.00 +0.052 A ATOM 13 C LIG 1 4.608 0.721 -0.583 0.00 0.00 -0.007 A ATOM 14 C LIG 1 4.573 1.439 -1.902 0.00 0.00 +0.081 C ATOM 15 C LIG 1 3.346 1.663 -2.763 0.00 0.00 +0.040 C ATOM 16 C LIG 1 5.579 2.555 -1.737 0.00 0.00 +0.228 C ATOM 17 N LIG 1 6.080 2.464 -0.451 0.00 0.00 -0.284 N ATOM 18 H LIG 1 6.778 3.098 -0.092 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 5.875 3.372 -2.593 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 4.429 0.697 -3.199 0.00 0.00 +0.031 C ATOM 21 C LIG 1 5.524 1.388 0.243 0.00 0.00 +0.038 A ATOM 22 C LIG 1 5.809 0.994 1.533 0.00 0.00 +0.027 A ATOM 23 C LIG 1 5.144 -0.134 2.023 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 3.730 -2.428 2.918 0.00 0.00 +0.277 C ATOM 25 O LIG 1 3.527 -1.950 1.594 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -2.750 -0.166 -0.526 0.00 0.00 -0.281 N ATOM 27 H LIG 1 -2.538 0.510 0.196 0.00 0.00 +0.155 HD BRANCH 26 28 ATOM 28 C LIG 1 -4.009 -0.698 -0.260 0.00 0.00 +0.143 A ATOM 29 N LIG 1 -4.616 -0.203 0.850 0.00 0.00 -0.233 NA ATOM 30 C LIG 1 -5.851 -0.677 1.172 0.00 0.00 +0.069 A ATOM 31 C LIG 1 -6.457 -1.644 0.372 0.00 0.00 +0.134 A ATOM 32 N LIG 1 -5.884 -2.158 -0.735 0.00 0.00 -0.258 NA ATOM 33 C LIG 1 -4.653 -1.663 -1.028 0.00 0.00 +0.154 A BRANCH 30 34 ATOM 34 C LIG 1 -6.468 -0.048 2.463 0.00 0.00 +0.091 C ATOM 35 C LIG 1 -7.908 0.484 2.398 0.00 0.00 +0.171 C ATOM 36 O LIG 1 -8.394 -0.617 3.203 0.00 0.00 -0.378 OA ATOM 37 C LIG 1 -7.035 -0.992 3.534 0.00 0.00 +0.171 C ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 5