REMARK Name = BDB024683 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.797 -0.519 -1.191 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.913 -0.619 -0.102 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.356 -1.458 1.032 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.493 -0.785 1.818 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.249 -1.835 2.029 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.943 -2.093 1.308 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.571 -0.826 0.593 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.248 -0.337 0.567 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.121 -0.870 1.141 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.869 -0.048 0.845 0.00 0.00 +0.112 A ATOM 11 N LIG 1 -0.417 1.012 0.080 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.944 0.839 -0.106 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.921 1.578 -0.778 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.231 1.080 -0.759 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.570 -0.113 -0.105 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.947 -0.951 -1.172 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.197 2.110 -0.492 0.00 0.00 +0.089 C ATOM 18 C LIG 1 -1.934 2.961 0.562 0.00 0.00 +0.025 C ATOM 19 C LIG 1 -3.281 3.489 0.069 0.00 0.00 +0.002 C ATOM 20 C LIG 1 -3.199 3.946 -1.381 0.00 0.00 +0.000 C ATOM 21 C LIG 1 -2.802 2.815 -2.332 0.00 0.00 +0.002 C ATOM 22 C LIG 1 -2.097 1.644 -1.646 0.00 0.00 +0.025 C ENDBRANCH 11 17 BRANCH 1 24 ATOM 23 C LIG 1 6.132 0.084 -3.437 0.00 0.00 +0.282 C ATOM 24 O LIG 1 5.254 0.038 -2.312 0.00 0.00 -0.453 OA ENDBRANCH 1 24 BRANCH 10 25 ATOM 25 C LIG 1 -2.279 -0.282 1.304 0.00 0.00 +0.093 C BRANCH 25 26 ATOM 26 C LIG 1 -2.678 -1.761 1.129 0.00 0.00 +0.135 C BRANCH 26 27 ATOM 27 C LIG 1 -4.151 -1.846 0.730 0.00 0.00 -0.033 A ATOM 28 C LIG 1 -5.175 -1.439 1.602 0.00 0.00 +0.004 A ATOM 29 C LIG 1 -6.511 -1.485 1.201 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -6.842 -1.932 -0.076 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -5.838 -2.336 -0.953 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -4.501 -2.293 -0.554 0.00 0.00 +0.004 A ENDBRANCH 26 27 BRANCH 26 33 ATOM 33 C LIG 1 -2.333 -2.573 2.381 0.00 0.00 +0.313 C ATOM 34 O LIG 1 -3.144 -3.126 3.113 0.00 0.00 -0.250 OA BRANCH 33 35 ATOM 35 O LIG 1 -1.005 -2.660 2.637 0.00 0.00 -0.480 OA ATOM 36 H LIG 1 -0.438 -2.123 2.026 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 26 33 ENDBRANCH 25 26 ENDBRANCH 10 25 TORSDOF 7