REMARK Name = BDB024507 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.822 0.402 -1.431 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.936 -0.458 -0.758 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.367 -1.829 -0.391 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.420 -1.802 0.732 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.238 -2.766 0.068 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.990 -2.542 -0.754 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.573 -1.115 -0.556 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.219 -0.753 -0.399 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.109 -1.557 -0.370 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.926 -0.758 -0.205 0.00 0.00 +0.111 A ATOM 11 N LIG 1 -0.518 0.561 -0.115 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.860 0.580 -0.247 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.810 1.604 -0.250 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.153 1.237 -0.416 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.554 -0.097 -0.574 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.578 1.536 -1.827 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.344 1.752 0.075 0.00 0.00 +0.089 C ATOM 18 C LIG 1 -2.103 1.757 1.408 0.00 0.00 +0.026 C ATOM 19 C LIG 1 -2.830 3.084 1.649 0.00 0.00 +0.017 C ATOM 20 C LIG 1 -3.498 3.673 0.393 0.00 0.00 +0.098 C ATOM 21 C LIG 1 -3.600 2.661 -0.750 0.00 0.00 +0.017 C ATOM 22 C LIG 1 -2.247 2.054 -1.137 0.00 0.00 +0.026 C BRANCH 20 23 ATOM 23 C LIG 1 -2.771 4.919 -0.094 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -1.570 5.108 0.024 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -3.580 5.802 -0.719 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -4.517 5.532 -0.771 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 20 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 7.969 0.637 -2.367 0.00 0.00 +0.282 C ATOM 28 O LIG 1 7.038 -0.184 -1.660 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.335 -1.254 -0.136 0.00 0.00 +0.079 C BRANCH 29 30 ATOM 30 C LIG 1 -2.583 -2.022 1.165 0.00 0.00 +0.043 C BRANCH 30 31 ATOM 31 C LIG 1 -4.035 -2.406 1.313 0.00 0.00 -0.047 A ATOM 32 C LIG 1 -4.888 -1.663 2.141 0.00 0.00 +0.003 A ATOM 33 C LIG 1 -6.235 -2.009 2.260 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -6.742 -3.097 1.552 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -5.902 -3.841 0.725 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -4.555 -3.498 0.605 0.00 0.00 +0.003 A ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 10 29 TORSDOF 7