REMARK Name = BDB024791 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.893 0.438 0.438 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.883 -0.528 0.326 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.296 -1.917 0.581 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.048 -2.313 2.040 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.660 -2.869 -0.426 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.149 -2.797 -0.356 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.647 -1.381 -0.304 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.282 -1.125 -0.570 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.292 -2.009 -0.924 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.805 -1.296 -1.082 0.00 0.00 +0.113 A ATOM 11 N LIG 1 -0.563 0.030 -0.788 0.00 0.00 -0.326 N ATOM 12 C LIG 1 0.774 0.162 -0.481 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.565 1.250 -0.120 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.917 0.991 0.148 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.488 -0.289 0.043 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.990 0.212 0.946 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 6.654 2.596 -0.089 0.00 0.00 +0.282 C ATOM 18 O LIG 1 5.598 1.636 -0.140 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 -1.526 1.120 -0.778 0.00 0.00 +0.138 C BRANCH 19 20 ATOM 20 C ACE A 0 -1.953 1.494 0.648 0.00 0.00 +0.103 C BRANCH 20 21 ATOM 21 N LIG 1 -3.106 2.404 0.676 0.00 0.00 -0.310 NA ATOM 22 H LIG 1 -3.706 2.141 1.461 0.00 0.00 +0.122 HD BRANCH 21 23 ATOM 23 CA LIG 1 -2.787 3.840 0.824 0.00 0.00 +0.076 C ATOM 24 CB LIG 1 -1.892 4.389 -0.289 0.00 0.00 +0.026 C BRANCH 23 25 ATOM 25 C LIG 1 -2.235 4.208 2.221 0.00 0.00 +0.174 C BRANCH 25 26 ATOM 26 O LIG 1 -2.184 5.619 2.403 0.00 0.00 -0.393 OA ATOM 27 H LIG 1 -3.095 5.957 2.361 0.00 0.00 +0.209 HD ENDBRANCH 25 26 ENDBRANCH 23 25 ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 28 ATOM 28 C LIG 1 -2.121 -1.858 -1.518 0.00 0.00 +0.096 C BRANCH 28 29 ATOM 29 C LIG 1 -2.972 -2.290 -0.323 0.00 0.00 +0.132 C BRANCH 29 30 ATOM 30 N LIG 1 -4.367 -2.525 -0.701 0.00 0.00 -0.315 N ATOM 31 C LIG 1 -4.715 -3.775 -1.216 0.00 0.00 +0.251 A ATOM 32 O LIG 1 -3.937 -4.712 -1.368 0.00 0.00 -0.268 OA ATOM 33 C LIG 1 -6.143 -3.944 -1.604 0.00 0.00 +0.070 A ATOM 34 C LIG 1 -7.002 -2.925 -1.478 0.00 0.00 +0.007 A ATOM 35 C LIG 1 -6.558 -1.654 -0.966 0.00 0.00 +0.018 A ATOM 36 C LIG 1 -5.282 -1.489 -0.600 0.00 0.00 +0.089 A ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 10 28 TORSDOF 10