REMARK Name = BDB010443 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.835 -1.203 2.956 0.00 0.00 +0.242 A ATOM 2 N LIG 1 0.399 -0.691 2.859 0.00 0.00 -0.200 NA ATOM 3 C LIG 1 0.685 -0.270 1.618 0.00 0.00 +0.185 A ATOM 4 N LIG 1 1.876 0.281 1.258 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 1.779 0.517 -0.029 0.00 0.00 +0.201 A ATOM 6 N LIG 1 0.482 0.304 -0.467 0.00 0.00 -0.307 N ATOM 7 C LIG 1 -0.188 -0.350 0.545 0.00 0.00 +0.129 A ATOM 8 C LIG 1 -1.436 -0.942 0.710 0.00 0.00 +0.149 A ATOM 9 N LIG 1 -1.737 -1.345 1.957 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 2.753 1.011 -0.843 0.00 0.00 -0.289 N ATOM 11 C LIG 1 3.361 0.087 -1.849 0.00 0.00 +0.132 C ATOM 12 C LIG 1 4.277 0.909 -2.803 0.00 0.00 +0.187 C ATOM 13 O LIG 1 5.243 1.729 -2.121 0.00 0.00 -0.376 OA ATOM 14 C LIG 1 4.599 2.605 -1.185 0.00 0.00 +0.179 C ATOM 15 C LIG 1 3.776 1.827 -0.150 0.00 0.00 +0.136 C BRANCH 11 16 ATOM 16 C LIG 1 4.026 -1.146 -1.232 0.00 0.00 -0.025 A ATOM 17 C LIG 1 3.250 -2.296 -0.991 0.00 0.00 +0.005 A ATOM 18 C LIG 1 3.813 -3.445 -0.433 0.00 0.00 +0.000 A ATOM 19 C LIG 1 5.165 -3.468 -0.105 0.00 0.00 +0.000 A ATOM 20 C LIG 1 5.950 -2.341 -0.332 0.00 0.00 +0.000 A ATOM 21 C LIG 1 5.386 -1.190 -0.889 0.00 0.00 +0.005 A ENDBRANCH 11 16 ENDBRANCH 5 10 BRANCH 1 22 ATOM 22 C LIG 1 -1.282 -1.703 4.304 0.00 0.00 +0.377 C ATOM 23 O LIG 1 -2.363 -2.230 4.530 0.00 0.00 -0.241 OA BRANCH 22 25 ATOM 24 C LIG 1 -0.655 -1.932 6.550 0.00 0.00 +0.280 C ATOM 25 O LIG 1 -0.313 -1.486 5.239 0.00 0.00 -0.462 OA ENDBRANCH 22 25 ENDBRANCH 1 22 BRANCH 8 26 ATOM 26 N LIG 1 -2.325 -1.129 -0.337 0.00 0.00 -0.324 N ATOM 27 H LIG 1 -1.840 -1.442 -1.170 0.00 0.00 +0.148 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.603 -1.832 -0.153 0.00 0.00 +0.072 C ATOM 29 C LIG 1 -4.555 -1.066 0.764 0.00 0.00 +0.028 C BRANCH 28 30 ATOM 30 C LIG 1 -3.448 -3.287 0.291 0.00 0.00 +0.009 C ATOM 31 C LIG 1 -4.662 -4.224 0.032 0.00 0.00 +0.005 C ATOM 32 C LIG 1 -3.644 -5.339 -0.280 0.00 0.00 +0.001 C ATOM 33 C LIG 1 -2.650 -4.223 -0.660 0.00 0.00 +0.005 C ENDBRANCH 28 30 ENDBRANCH 26 28 ENDBRANCH 8 26 BRANCH 6 34 ATOM 34 C LIG 1 -0.082 0.802 -1.707 0.00 0.00 +0.128 C BRANCH 34 35 ATOM 35 C LIG 1 -0.706 2.216 -1.669 0.00 0.00 +0.009 C ATOM 36 C LIG 1 0.313 3.314 -1.325 0.00 0.00 +0.005 C ATOM 37 C LIG 1 -0.316 4.705 -1.389 0.00 0.00 +0.003 C ATOM 38 C LIG 1 -1.548 4.810 -0.481 0.00 0.00 -0.014 C ATOM 39 C LIG 1 -2.188 6.192 -0.598 0.00 0.00 +0.007 C ATOM 40 C LIG 1 -2.565 3.712 -0.815 0.00 0.00 +0.003 C ATOM 41 C LIG 1 -1.935 2.320 -0.755 0.00 0.00 +0.005 C ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 9