REMARK Name = BDB039167 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.071 0.504 -0.142 0.00 0.00 +0.403 C ATOM 2 N LIG 1 5.026 -0.341 0.190 0.00 0.00 -0.263 N ATOM 3 C LIG 1 3.647 0.141 0.205 0.00 0.00 +0.148 C ATOM 4 C LIG 1 2.604 -0.934 0.374 0.00 0.00 +0.001 A ATOM 5 C LIG 1 2.951 -2.296 0.535 0.00 0.00 -0.039 A ATOM 6 C LIG 1 1.960 -3.279 0.671 0.00 0.00 +0.006 A ATOM 7 C LIG 1 0.602 -2.951 0.678 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.273 -1.599 0.534 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -0.931 -0.921 0.488 0.00 0.00 -0.326 N ATOM 10 C LIG 1 -0.660 0.425 0.346 0.00 0.00 +0.114 A ATOM 11 N LIG 1 0.642 0.623 0.278 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 4.405 -2.700 0.504 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.234 -0.607 0.388 0.00 0.00 +0.094 A ATOM 14 C LIG 1 5.313 -1.553 0.939 0.00 0.00 +0.116 C ATOM 15 O LIG 1 7.255 0.222 0.006 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -1.680 1.534 0.294 0.00 0.00 +0.055 C ATOM 17 C LIG 1 -1.575 2.296 -1.043 0.00 0.00 +0.014 C ATOM 18 C LIG 1 -2.166 3.698 -0.927 0.00 0.00 +0.032 C ATOM 19 C LIG 1 -1.390 4.560 0.082 0.00 0.00 +0.118 C ATOM 20 C LIG 1 -0.721 3.719 1.181 0.00 0.00 +0.032 C ATOM 21 C LIG 1 -1.528 2.468 1.513 0.00 0.00 +0.014 C BRANCH 19 22 ATOM 22 O LIG 1 -0.412 5.308 -0.651 0.00 0.00 -0.380 OA ATOM 23 C LIG 1 0.170 6.368 0.097 0.00 0.00 +0.194 C ENDBRANCH 19 22 ENDBRANCH 10 16 BRANCH 1 25 ATOM 24 C LIG 1 6.686 2.590 -1.014 0.00 0.00 +0.282 C ATOM 25 O LIG 1 5.639 1.690 -0.651 0.00 0.00 -0.454 OA ENDBRANCH 1 25 BRANCH 9 26 ATOM 26 C LIG 1 -2.229 -1.570 0.609 0.00 0.00 +0.143 C BRANCH 26 27 ATOM 27 C LIG 1 -2.687 -2.236 -0.698 0.00 0.00 +0.147 C BRANCH 27 28 ATOM 28 C LIG 1 -3.754 -3.289 -0.438 0.00 0.00 -0.032 A ATOM 29 C LIG 1 -4.984 -2.961 0.154 0.00 0.00 +0.004 A ATOM 30 C LIG 1 -5.943 -3.947 0.392 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -5.686 -5.271 0.043 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -4.471 -5.610 -0.548 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -3.511 -4.626 -0.789 0.00 0.00 +0.004 A ENDBRANCH 27 28 BRANCH 27 34 ATOM 34 C LIG 1 -3.177 -1.181 -1.667 0.00 0.00 +0.314 C ATOM 35 O LIG 1 -3.974 -0.287 -1.426 0.00 0.00 -0.250 OA BRANCH 34 36 ATOM 36 O LIG 1 -2.642 -1.307 -2.897 0.00 0.00 -0.480 OA ATOM 37 H LIG 1 -3.035 -0.578 -3.422 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 27 34 ENDBRANCH 26 27 ENDBRANCH 9 26 TORSDOF 8