REMARK Name = BDB024521 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.175 -0.003 1.172 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.305 -0.669 0.288 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.820 -1.955 -0.218 0.00 0.00 +0.082 C ATOM 4 C LIG 1 4.806 -3.025 0.887 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.101 -2.442 -1.474 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.611 -2.514 -1.223 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.112 -1.175 -0.759 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.776 -0.797 -1.031 0.00 0.00 +0.095 A ATOM 9 N LIG 1 -0.212 -1.522 -1.651 0.00 0.00 -0.231 NA ATOM 10 C LIG 1 -1.287 -0.757 -1.641 0.00 0.00 +0.120 A ATOM 11 N LIG 1 -0.998 0.495 -1.115 0.00 0.00 -0.296 N ATOM 12 C LIG 1 0.310 0.457 -0.663 0.00 0.00 +0.074 A ATOM 13 C LIG 1 1.137 1.398 -0.052 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.453 1.005 0.236 0.00 0.00 +0.026 A ATOM 15 C LIG 1 2.955 -0.276 -0.051 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.368 -0.284 1.277 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.897 1.576 -0.973 0.00 0.00 +0.049 A ATOM 18 C LIG 1 -2.152 2.087 0.302 0.00 0.00 +0.041 A ATOM 19 C LIG 1 -3.131 3.074 0.446 0.00 0.00 +0.061 A ATOM 20 C LIG 1 -3.785 3.603 -0.671 0.00 0.00 +0.015 A ATOM 21 C LIG 1 -3.501 3.103 -1.943 0.00 0.00 +0.003 A ATOM 22 C LIG 1 -2.572 2.072 -2.096 0.00 0.00 +0.026 A BRANCH 19 23 ATOM 23 C LIG 1 -3.516 3.553 1.787 0.00 0.00 +0.337 C ATOM 24 O LIG 1 -3.607 4.731 2.077 0.00 0.00 -0.245 OA BRANCH 23 25 ATOM 25 O LIG 1 -3.803 2.535 2.626 0.00 0.00 -0.477 OA ATOM 26 H LIG 1 -3.839 1.654 2.200 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 5.465 1.555 2.907 0.00 0.00 +0.282 C ATOM 28 O LIG 1 4.587 0.930 1.970 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.672 -1.230 -1.988 0.00 0.00 +0.110 C BRANCH 29 30 ATOM 30 C LIG 1 -3.635 -1.174 -0.815 0.00 0.00 -0.040 A ATOM 31 C LIG 1 -3.334 -1.828 0.390 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -4.199 -1.741 1.482 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -5.380 -1.008 1.379 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -5.700 -0.370 0.183 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -4.837 -0.458 -0.911 0.00 0.00 +0.004 A ENDBRANCH 29 30 ENDBRANCH 10 29 TORSDOF 6