REMARK Name = BDB038609 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.016 0.669 -0.571 0.00 0.00 -0.012 A ATOM 2 C LIG 1 -2.659 0.536 -0.260 0.00 0.00 +0.052 A ATOM 3 C LIG 1 -1.881 -0.382 -0.953 0.00 0.00 +0.129 A ATOM 4 N LIG 1 -2.412 -1.169 -1.920 0.00 0.00 -0.236 NA ATOM 5 C LIG 1 -3.717 -1.041 -2.254 0.00 0.00 +0.047 A ATOM 6 C LIG 1 -4.533 -0.121 -1.603 0.00 0.00 +0.032 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -0.511 -0.554 -0.691 0.00 0.00 -0.248 N ATOM 8 C LIG 1 0.293 0.191 0.162 0.00 0.00 +0.253 C ATOM 9 O LIG 1 0.039 1.162 0.850 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 1.636 -0.399 0.092 0.00 0.00 +0.042 A ATOM 11 C LIG 1 1.607 -1.454 -0.814 0.00 0.00 -0.018 A ATOM 12 C LIG 1 2.750 -2.187 -1.072 0.00 0.00 +0.006 A ATOM 13 C LIG 1 3.924 -1.834 -0.396 0.00 0.00 +0.005 A ATOM 14 C LIG 1 3.953 -0.759 0.527 0.00 0.00 -0.033 A ATOM 15 C LIG 1 2.782 -0.029 0.773 0.00 0.00 +0.018 A ATOM 16 C LIG 1 0.233 -1.596 -1.380 0.00 0.00 +0.151 C BRANCH 14 17 ATOM 17 C LIG 1 5.239 -0.411 1.249 0.00 0.00 +0.119 C BRANCH 17 18 ATOM 18 N LIG 1 6.327 -0.062 0.334 0.00 0.00 -0.298 NA ATOM 19 C LIG 1 7.607 0.083 1.046 0.00 0.00 +0.091 C ATOM 20 C LIG 1 8.411 0.930 0.088 0.00 0.00 -0.015 C ATOM 21 C LIG 1 9.819 0.531 -0.297 0.00 0.00 +0.009 C ATOM 22 C LIG 1 9.599 1.725 0.586 0.00 0.00 +0.009 C ATOM 23 C LIG 1 7.486 1.507 -0.945 0.00 0.00 +0.023 C ATOM 24 C LIG 1 6.109 1.214 -0.361 0.00 0.00 +0.085 C ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 3 7 BRANCH 1 26 ATOM 25 C LIG 1 -5.151 1.531 1.538 0.00 0.00 +0.028 A ATOM 26 C LIG 1 -4.879 1.622 0.151 0.00 0.00 -0.007 A ATOM 27 C LIG 1 -5.444 2.694 -0.571 0.00 0.00 +0.010 A ATOM 28 C LIG 1 -6.241 3.656 0.056 0.00 0.00 +0.019 A ATOM 29 C LIG 1 -6.487 3.573 1.425 0.00 0.00 +0.052 A ATOM 30 C LIG 1 -5.940 2.518 2.160 0.00 0.00 +0.031 A BRANCH 25 33 ATOM 31 C LIG 1 -5.743 -1.575 1.389 0.00 0.00 +0.152 C ATOM 32 N LIG 1 -4.874 -0.879 2.300 0.00 0.00 -0.317 N ATOM 33 C LIG 1 -4.625 0.468 2.397 0.00 0.00 +0.164 A ATOM 34 N LIG 1 -3.873 0.664 3.466 0.00 0.00 -0.129 NA ATOM 35 N LIG 1 -3.585 -0.554 4.032 0.00 0.00 -0.138 NA ATOM 36 C LIG 1 -4.187 -1.472 3.317 0.00 0.00 +0.225 A ENDBRANCH 25 33 BRANCH 29 37 ATOM 37 C LIG 1 -7.298 4.562 2.073 0.00 0.00 +0.099 C ATOM 38 N LIG 1 -7.970 5.359 2.582 0.00 0.00 -0.191 NA ENDBRANCH 29 37 ENDBRANCH 1 26 BRANCH 5 39 ATOM 39 C LIG 1 -4.264 -1.911 -3.361 0.00 0.00 +0.038 C ATOM 40 C LIG 1 -5.364 -2.909 -3.077 0.00 0.00 +0.010 C ATOM 41 C LIG 1 -3.974 -3.395 -3.359 0.00 0.00 +0.010 C ENDBRANCH 5 39 TORSDOF 7