REMARK Name = BDB024679 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.826 -0.603 0.506 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.660 -1.349 0.754 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.715 -2.833 0.757 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.472 -3.362 1.988 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.348 -3.533 0.725 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.390 -2.798 -0.184 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.232 -1.406 0.356 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.983 -0.751 0.377 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.242 -1.216 -0.037 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.100 -0.236 0.178 0.00 0.00 +0.112 A ATOM 11 N LIG 1 -0.467 0.862 0.731 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.875 0.548 0.856 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.984 1.253 1.328 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.224 0.601 1.292 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.373 -0.707 0.808 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.899 0.618 0.413 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.057 2.149 1.102 0.00 0.00 +0.091 C ATOM 18 C LIG 1 -1.462 2.988 -0.130 0.00 0.00 +0.056 C ATOM 19 C LIG 1 -2.656 3.907 0.133 0.00 0.00 +0.117 C ATOM 20 C LIG 1 -2.617 4.479 1.547 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -2.644 3.402 2.636 0.00 0.00 +0.004 C ATOM 22 C LIG 1 -2.153 2.030 2.170 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 O LIG 1 -3.868 3.176 -0.031 0.00 0.00 -0.392 OA ATOM 24 H LIG 1 -3.986 2.995 -0.982 0.00 0.00 +0.210 HD ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 26 ATOM 25 C LIG 1 8.127 -0.690 0.023 0.00 0.00 +0.282 C ATOM 26 O LIG 1 6.923 -1.398 0.319 0.00 0.00 -0.453 OA ENDBRANCH 1 26 BRANCH 10 27 ATOM 27 C LIG 1 -2.561 -0.335 -0.152 0.00 0.00 +0.093 C BRANCH 27 28 ATOM 28 C LIG 1 -2.800 -1.198 -1.408 0.00 0.00 +0.135 C BRANCH 28 29 ATOM 29 C LIG 1 -4.003 -0.677 -2.195 0.00 0.00 -0.033 A ATOM 30 C LIG 1 -5.256 -0.497 -1.588 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -6.334 0.006 -2.318 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -6.178 0.328 -3.665 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -4.943 0.144 -4.284 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -3.862 -0.355 -3.556 0.00 0.00 +0.004 A ENDBRANCH 28 29 BRANCH 28 35 ATOM 35 C LIG 1 -2.934 -2.675 -1.026 0.00 0.00 +0.313 C ATOM 36 O LIG 1 -3.961 -3.335 -1.104 0.00 0.00 -0.250 OA BRANCH 35 37 ATOM 37 O LIG 1 -1.783 -3.233 -0.578 0.00 0.00 -0.480 OA ATOM 38 H LIG 1 -1.041 -2.584 -0.469 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 28 35 ENDBRANCH 27 28 ENDBRANCH 10 27 TORSDOF 8