REMARK Name = BDB024634 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.740 -0.543 0.831 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.796 -0.083 -0.105 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.236 0.746 -1.253 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.043 -0.084 -2.267 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.101 1.433 -2.029 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.040 1.944 -1.083 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.498 0.766 -0.331 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.124 0.650 -0.028 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.097 1.498 -0.352 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.993 0.986 0.185 0.00 0.00 +0.112 A ATOM 11 N LIG 1 -0.708 -0.211 0.821 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.652 -0.433 0.702 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.504 -1.444 1.151 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.869 -1.313 0.862 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.385 -0.225 0.145 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.503 -1.189 1.847 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.663 -1.105 1.469 0.00 0.00 +0.089 C ATOM 18 C LIG 1 -1.844 -2.418 0.694 0.00 0.00 +0.031 C ATOM 19 C LIG 1 -2.983 -3.228 1.329 0.00 0.00 +0.016 C ATOM 20 C LIG 1 -2.737 -3.494 2.827 0.00 0.00 +0.006 C ATOM 21 C LIG 1 -1.501 -2.792 3.390 0.00 0.00 +0.002 C ATOM 22 C LIG 1 -1.405 -1.325 2.974 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -3.263 -4.524 0.563 0.00 0.00 +0.159 C BRANCH 23 24 ATOM 24 O LIG 1 -3.536 -4.268 -0.810 0.00 0.00 -0.395 OA ATOM 25 H LIG 1 -4.088 -3.467 -0.867 0.00 0.00 +0.209 HD ENDBRANCH 23 24 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 27 ATOM 26 C LIG 1 8.008 -0.555 1.463 0.00 0.00 +0.282 C ATOM 27 O LIG 1 7.013 -0.147 0.522 0.00 0.00 -0.453 OA ENDBRANCH 1 27 BRANCH 10 28 ATOM 28 C LIG 1 -2.328 1.668 0.098 0.00 0.00 +0.093 C BRANCH 28 29 ATOM 29 C LIG 1 -2.905 1.597 -1.329 0.00 0.00 +0.135 C BRANCH 29 30 ATOM 30 C LIG 1 -3.677 2.870 -1.655 0.00 0.00 -0.033 A ATOM 31 C LIG 1 -4.939 3.126 -1.097 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -5.625 4.300 -1.409 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -5.056 5.232 -2.273 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -3.798 4.996 -2.821 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -3.109 3.824 -2.512 0.00 0.00 +0.004 A ENDBRANCH 29 30 BRANCH 29 36 ATOM 36 C LIG 1 -3.765 0.352 -1.534 0.00 0.00 +0.313 C ATOM 37 O LIG 1 -3.997 -0.497 -0.684 0.00 0.00 -0.250 OA BRANCH 36 38 ATOM 38 O LIG 1 -4.278 0.243 -2.786 0.00 0.00 -0.480 OA ATOM 39 H LIG 1 -4.062 1.004 -3.362 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 29 36 ENDBRANCH 28 29 ENDBRANCH 10 28 TORSDOF 9