REMARK Name = BDB024551 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.877 0.507 1.124 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -4.863 -0.431 0.860 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -5.240 -1.857 0.967 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -6.155 -2.284 -0.193 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -4.058 -2.837 1.021 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -2.917 -2.256 1.828 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -2.492 -0.986 1.149 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -1.135 -0.641 0.990 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.020 -1.336 1.370 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 1.024 -0.621 0.992 0.00 0.00 +0.115 A ATOM 11 N LIG 1 0.612 0.556 0.388 0.00 0.00 -0.324 N ATOM 12 C LIG 1 -0.777 0.544 0.363 0.00 0.00 +0.069 A ATOM 13 C LIG 1 -1.737 1.427 -0.143 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -3.085 1.082 0.027 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -3.480 -0.093 0.680 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -7.058 0.204 1.275 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 1.414 1.639 -0.182 0.00 0.00 +0.089 C ATOM 18 C LIG 1 2.000 1.276 -1.553 0.00 0.00 +0.026 C ATOM 19 C LIG 1 2.847 2.420 -2.103 0.00 0.00 +0.015 C ATOM 20 C LIG 1 3.992 2.827 -1.161 0.00 0.00 +0.075 C ATOM 21 C LIG 1 3.863 2.251 0.256 0.00 0.00 +0.015 C ATOM 22 C LIG 1 2.428 2.291 0.779 0.00 0.00 +0.026 C BRANCH 20 23 ATOM 23 C LIG 1 5.352 2.478 -1.754 0.00 0.00 +0.214 C ATOM 24 O LIG 1 6.216 3.321 -1.969 0.00 0.00 -0.276 OA ATOM 25 N LIG 1 5.587 1.163 -2.018 0.00 0.00 -0.329 N ATOM 26 H LIG 1 6.466 0.934 -2.464 0.00 0.00 +0.145 HD ATOM 27 H LIG 1 4.869 0.450 -1.999 0.00 0.00 +0.145 HD ENDBRANCH 20 23 ENDBRANCH 11 17 BRANCH 1 29 ATOM 28 C LIG 1 -6.457 2.733 1.603 0.00 0.00 +0.282 C ATOM 29 O LIG 1 -5.438 1.790 1.272 0.00 0.00 -0.453 OA ENDBRANCH 1 29 BRANCH 10 30 ATOM 30 C LIG 1 2.434 -1.078 1.231 0.00 0.00 +0.109 C BRANCH 30 31 ATOM 31 C LIG 1 3.114 -1.762 0.062 0.00 0.00 -0.040 A ATOM 32 C LIG 1 4.514 -1.710 -0.045 0.00 0.00 +0.004 A ATOM 33 C LIG 1 5.177 -2.353 -1.092 0.00 0.00 +0.000 A ATOM 34 C LIG 1 4.451 -3.067 -2.041 0.00 0.00 +0.000 A ATOM 35 C LIG 1 3.065 -3.154 -1.933 0.00 0.00 +0.000 A ATOM 36 C LIG 1 2.402 -2.517 -0.882 0.00 0.00 +0.004 A ENDBRANCH 30 31 ENDBRANCH 10 30 TORSDOF 5