REMARK Name = BDB024537 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.852 -0.685 0.060 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.833 -0.186 -0.770 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.258 0.700 -1.875 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.984 -0.087 -2.978 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.126 1.504 -2.534 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.115 1.951 -1.501 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.554 0.714 -0.862 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.179 0.576 -0.577 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.161 1.463 -0.803 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.939 0.896 -0.351 0.00 0.00 +0.114 A ATOM 11 N LIG 1 -0.667 -0.376 0.126 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.696 -0.584 0.015 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.541 -1.644 0.356 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.907 -1.494 0.082 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.431 -0.333 -0.503 0.00 0.00 +0.045 A ATOM 16 O LIG 1 7.049 -0.554 -0.183 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.644 -1.342 0.625 0.00 0.00 +0.089 C ATOM 18 C LIG 1 -1.454 -1.668 2.120 0.00 0.00 +0.026 C ATOM 19 C LIG 1 -1.750 -3.130 2.462 0.00 0.00 +0.017 C ATOM 20 C LIG 1 -2.988 -3.643 1.721 0.00 0.00 +0.098 C ATOM 21 C LIG 1 -2.873 -3.517 0.194 0.00 0.00 +0.017 C ATOM 22 C LIG 1 -1.732 -2.600 -0.255 0.00 0.00 +0.026 C BRANCH 20 23 ATOM 23 C LIG 1 -3.335 -5.057 2.149 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -4.371 -5.346 2.728 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -2.402 -5.983 1.844 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -1.621 -5.644 1.370 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 20 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 6.447 -1.721 2.084 0.00 0.00 +0.282 C ATOM 28 O LIG 1 5.410 -1.274 1.209 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.301 1.549 -0.371 0.00 0.00 +0.056 C ATOM 30 C LIG 1 -3.044 1.147 -1.651 0.00 0.00 +0.016 C BRANCH 29 31 ATOM 31 C LIG 1 -2.159 3.085 -0.255 0.00 0.00 +0.046 C BRANCH 31 32 ATOM 32 C LIG 1 -3.470 3.792 0.003 0.00 0.00 -0.047 A ATOM 33 C LIG 1 -4.125 4.476 -1.029 0.00 0.00 +0.003 A ATOM 34 C LIG 1 -5.343 5.117 -0.792 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -5.914 5.081 0.478 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -5.269 4.407 1.513 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -4.052 3.765 1.278 0.00 0.00 +0.003 A ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 10 29 TORSDOF 7