REMARK Name = BDB024624 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.829 0.832 -0.503 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.811 -0.083 -0.179 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.145 -1.510 0.054 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.928 -1.693 1.368 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.938 -2.460 0.109 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.899 -2.066 -0.915 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.456 -0.670 -0.591 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.104 -0.278 -0.672 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.001 -1.030 -1.012 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.032 -0.210 -0.950 0.00 0.00 +0.112 A ATOM 11 N LIG 1 -0.632 1.052 -0.567 0.00 0.00 -0.327 N ATOM 12 C LIG 1 0.736 1.032 -0.400 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.666 2.009 -0.047 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.009 1.614 0.028 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.425 0.301 -0.241 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.683 2.023 -0.756 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 8.132 1.121 -0.898 0.00 0.00 +0.282 C ATOM 18 O LIG 1 7.061 0.240 -0.555 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 -1.473 2.228 -0.413 0.00 0.00 +0.127 C BRANCH 19 20 ATOM 20 C LIG 1 -1.720 2.629 1.052 0.00 0.00 +0.011 C ATOM 21 C LIG 1 -2.563 1.593 1.809 0.00 0.00 +0.020 C ATOM 22 C LIG 1 -2.902 2.073 3.219 0.00 0.00 +0.081 C ATOM 23 N LIG 1 -3.585 3.365 3.184 0.00 0.00 -0.316 NA ATOM 24 H LIG 1 -3.805 3.654 4.137 0.00 0.00 +0.122 HD ATOM 25 C LIG 1 -2.760 4.389 2.547 0.00 0.00 +0.081 C ATOM 26 C LIG 1 -2.413 4.000 1.112 0.00 0.00 +0.020 C ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 27 ATOM 27 C LIG 1 -2.447 -0.593 -1.272 0.00 0.00 +0.093 C BRANCH 27 28 ATOM 28 C LIG 1 -2.633 -2.120 -1.363 0.00 0.00 +0.135 C BRANCH 28 29 ATOM 29 C LIG 1 -4.085 -2.486 -1.053 0.00 0.00 -0.033 A ATOM 30 C LIG 1 -5.146 -2.046 -1.861 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -6.466 -2.365 -1.538 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -6.745 -3.122 -0.403 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -5.704 -3.564 0.409 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -4.383 -3.248 0.088 0.00 0.00 +0.004 A ENDBRANCH 28 29 BRANCH 28 35 ATOM 35 C LIG 1 -2.153 -2.647 -2.719 0.00 0.00 +0.313 C ATOM 36 O LIG 1 -2.876 -3.025 -3.630 0.00 0.00 -0.250 OA BRANCH 35 37 ATOM 37 O LIG 1 -0.804 -2.664 -2.857 0.00 0.00 -0.480 OA ATOM 38 H LIG 1 -0.328 -2.228 -2.105 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 28 35 ENDBRANCH 27 28 ENDBRANCH 10 27 TORSDOF 8