REMARK Name = BDB034369 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.203 -0.008 -0.971 0.00 0.00 +0.038 A ATOM 2 C LIG 1 2.537 0.390 -0.658 0.00 0.00 +0.021 A ATOM 3 C LIG 1 3.149 1.371 -1.471 0.00 0.00 +0.073 A ATOM 4 C LIG 1 4.456 1.761 -1.203 0.00 0.00 +0.037 A ATOM 5 C LIG 1 5.207 1.236 -0.139 0.00 0.00 -0.016 A ATOM 6 C LIG 1 4.594 0.282 0.677 0.00 0.00 +0.009 A ATOM 7 N LIG 1 2.522 1.961 -2.498 0.00 0.00 -0.255 NA ATOM 8 C LIG 1 1.246 1.610 -2.738 0.00 0.00 +0.113 A ATOM 9 C LIG 1 3.283 -0.132 0.425 0.00 0.00 +0.012 A ATOM 10 C LIG 1 0.554 0.661 -2.010 0.00 0.00 +0.043 A ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 6.588 1.682 0.114 0.00 0.00 -0.014 A ATOM 12 C LIG 1 7.630 0.749 0.265 0.00 0.00 +0.058 A ATOM 13 C LIG 1 8.908 1.215 0.502 0.00 0.00 +0.167 A ATOM 14 O LIG 1 10.016 0.444 0.669 0.00 0.00 -0.453 OA ATOM 15 C LIG 1 11.023 1.457 0.873 0.00 0.00 +0.466 C ATOM 16 O LIG 1 10.501 2.801 0.833 0.00 0.00 -0.453 OA ATOM 17 C LIG 1 9.185 2.557 0.595 0.00 0.00 +0.166 A ATOM 18 C LIG 1 8.201 3.508 0.456 0.00 0.00 +0.050 A ATOM 19 C LIG 1 6.896 3.063 0.214 0.00 0.00 +0.012 A ENDBRANCH 5 11 BRANCH 1 20 ATOM 20 N LIG 1 0.552 -0.969 -0.175 0.00 0.00 -0.343 N ATOM 21 H LIG 1 1.197 -1.708 0.095 0.00 0.00 +0.146 HD BRANCH 20 22 ATOM 22 C LIG 1 -0.764 -1.511 -0.519 0.00 0.00 +0.103 C BRANCH 22 23 ATOM 23 C LIG 1 -1.873 -0.651 0.087 0.00 0.00 +0.034 C BRANCH 23 24 ATOM 24 C LIG 1 -3.270 -1.108 -0.340 0.00 0.00 +0.083 C BRANCH 24 25 ATOM 25 N LIG 1 -3.552 -2.461 0.143 0.00 0.00 -0.312 NA ATOM 26 H LIG 1 -3.563 -2.459 1.162 0.00 0.00 +0.122 HD BRANCH 25 27 ATOM 27 C LIG 1 -4.849 -2.953 -0.342 0.00 0.00 +0.120 C BRANCH 27 30 ATOM 28 C LIG 1 -7.938 -0.791 0.398 0.00 0.00 +0.162 A ATOM 29 C LIG 1 -6.843 -1.373 -0.260 0.00 0.00 +0.163 A ATOM 30 C LIG 1 -6.034 -2.333 0.357 0.00 0.00 +0.011 A ATOM 31 C LIG 1 -6.346 -2.708 1.673 0.00 0.00 +0.009 A ATOM 32 C LIG 1 -7.434 -2.137 2.339 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -8.230 -1.180 1.704 0.00 0.00 +0.049 A BRANCH 28 35 ATOM 34 C LIG 1 -9.746 0.751 0.290 0.00 0.00 +0.277 C ATOM 35 O LIG 1 -8.631 0.134 -0.343 0.00 0.00 -0.491 OA ENDBRANCH 28 35 BRANCH 29 36 ATOM 36 O LIG 1 -6.562 -0.979 -1.545 0.00 0.00 -0.503 OA ATOM 37 H LIG 1 -7.252 -0.321 -1.761 0.00 0.00 +0.292 HD ENDBRANCH 29 36 ENDBRANCH 27 30 ENDBRANCH 25 27 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 20 22 ENDBRANCH 1 20 TORSDOF 10