REMARK Name = BDB038739 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.534 -1.621 0.184 0.00 0.00 +0.129 A ATOM 2 N LIG 1 2.010 -2.450 1.142 0.00 0.00 -0.236 NA ATOM 3 C LIG 1 3.348 -2.607 1.293 0.00 0.00 +0.047 A ATOM 4 C LIG 1 4.242 -1.938 0.464 0.00 0.00 +0.032 A ATOM 5 C LIG 1 3.772 -1.067 -0.522 0.00 0.00 -0.012 A ATOM 6 C LIG 1 2.387 -0.924 -0.660 0.00 0.00 +0.052 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 -4.398 -0.751 -0.525 0.00 0.00 -0.030 A ATOM 8 C LIG 1 -3.139 -0.345 -1.000 0.00 0.00 +0.018 A ATOM 9 C LIG 1 -2.015 -0.916 -0.433 0.00 0.00 +0.042 A ATOM 10 C LIG 1 -0.598 -0.669 -0.737 0.00 0.00 +0.253 C ATOM 11 N LIG 1 0.136 -1.496 0.102 0.00 0.00 -0.248 N ATOM 12 C LIG 1 -0.711 -2.286 0.981 0.00 0.00 +0.151 C ATOM 13 O LIG 1 -0.233 0.136 -1.573 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 -2.087 -1.869 0.579 0.00 0.00 -0.018 A ATOM 15 C LIG 1 -3.313 -2.286 1.060 0.00 0.00 +0.006 A ATOM 16 C LIG 1 -4.469 -1.723 0.503 0.00 0.00 +0.005 A BRANCH 7 18 ATOM 17 C LIG 1 -5.883 -0.720 -2.529 0.00 0.00 +0.029 C ATOM 18 C LIG 1 -5.685 -0.168 -1.109 0.00 0.00 +0.084 C BRANCH 18 19 ATOM 19 N LIG 1 -5.646 1.308 -1.139 0.00 0.00 -0.294 NA ATOM 20 C LIG 1 -7.000 1.891 -1.400 0.00 0.00 +0.097 C ATOM 21 C LIG 1 -6.726 2.833 -0.269 0.00 0.00 +0.043 C ATOM 22 C LIG 1 -6.360 4.252 -0.549 0.00 0.00 +0.171 C ATOM 23 O LIG 1 -7.439 4.707 0.325 0.00 0.00 -0.378 OA ATOM 24 C LIG 1 -7.821 3.328 0.605 0.00 0.00 +0.171 C ATOM 25 C LIG 1 -5.693 1.881 0.245 0.00 0.00 +0.097 C ENDBRANCH 18 19 ENDBRANCH 7 18 ENDBRANCH 1 11 BRANCH 5 26 ATOM 26 C LIG 1 4.704 -0.314 -1.383 0.00 0.00 -0.007 A ATOM 27 C LIG 1 5.664 0.589 -0.864 0.00 0.00 +0.028 A ATOM 28 C LIG 1 6.565 1.233 -1.732 0.00 0.00 +0.031 A ATOM 29 C LIG 1 6.506 1.018 -3.111 0.00 0.00 +0.052 A ATOM 30 C LIG 1 5.546 0.151 -3.632 0.00 0.00 +0.019 A ATOM 31 C LIG 1 4.659 -0.509 -2.777 0.00 0.00 +0.010 A BRANCH 27 32 ATOM 32 C LIG 1 5.778 0.876 0.564 0.00 0.00 +0.164 A ATOM 33 N LIG 1 4.863 1.549 1.336 0.00 0.00 -0.317 N ATOM 34 C LIG 1 3.629 2.167 0.931 0.00 0.00 +0.152 C ATOM 35 C LIG 1 5.364 1.557 2.603 0.00 0.00 +0.225 A ATOM 36 N LIG 1 6.526 0.950 2.619 0.00 0.00 -0.138 NA ATOM 37 N LIG 1 6.795 0.536 1.335 0.00 0.00 -0.129 NA ENDBRANCH 27 32 BRANCH 29 38 ATOM 38 C LIG 1 7.424 1.688 -3.985 0.00 0.00 +0.099 C ATOM 39 N LIG 1 8.159 2.234 -4.698 0.00 0.00 -0.191 NA ENDBRANCH 29 38 ENDBRANCH 5 26 BRANCH 3 40 ATOM 40 C LIG 1 3.847 -3.527 2.380 0.00 0.00 +0.038 C ATOM 41 C LIG 1 3.322 -3.377 3.790 0.00 0.00 +0.010 C ATOM 42 C LIG 1 4.737 -2.991 3.479 0.00 0.00 +0.010 C ENDBRANCH 3 40 TORSDOF 7