REMARK Name = BDB038746 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.849 -0.287 0.316 0.00 0.00 +0.129 A ATOM 2 N LIG 1 -1.934 -0.511 1.639 0.00 0.00 -0.236 NA ATOM 3 C LIG 1 -3.113 -0.840 2.222 0.00 0.00 +0.047 A ATOM 4 C LIG 1 -4.266 -0.935 1.448 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -4.224 -0.668 0.076 0.00 0.00 -0.012 A ATOM 6 C LIG 1 -2.981 -0.357 -0.488 0.00 0.00 +0.052 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 3.822 0.939 -1.344 0.00 0.00 -0.033 A ATOM 8 C LIG 1 3.001 0.675 -0.238 0.00 0.00 +0.018 A ATOM 9 C LIG 1 1.654 0.460 -0.470 0.00 0.00 +0.042 A ATOM 10 C LIG 1 0.589 0.167 0.498 0.00 0.00 +0.253 C ATOM 11 N LIG 1 -0.590 0.030 -0.237 0.00 0.00 -0.248 N ATOM 12 C LIG 1 -0.366 0.221 -1.657 0.00 0.00 +0.151 C ATOM 13 O LIG 1 0.819 0.093 1.691 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 1.096 0.494 -1.743 0.00 0.00 -0.018 A ATOM 15 C LIG 1 1.888 0.746 -2.848 0.00 0.00 +0.006 A ATOM 16 C LIG 1 3.256 0.966 -2.641 0.00 0.00 +0.005 A BRANCH 7 17 ATOM 17 C LIG 1 5.306 1.162 -1.160 0.00 0.00 +0.116 C BRANCH 17 18 ATOM 18 N LIG 1 6.052 -0.006 -1.614 0.00 0.00 -0.309 NA ATOM 19 H LIG 1 5.762 -0.827 -1.084 0.00 0.00 +0.123 HD BRANCH 18 21 ATOM 20 C LIG 1 8.124 -0.966 -2.386 0.00 0.00 +0.024 C ATOM 21 C LIG 1 7.510 0.157 -1.549 0.00 0.00 +0.054 C BRANCH 21 22 ATOM 22 C LIG 1 8.019 0.164 -0.101 0.00 0.00 +0.006 C ATOM 23 C LIG 1 9.537 0.001 0.208 0.00 0.00 +0.005 C ATOM 24 C LIG 1 9.116 -0.684 1.526 0.00 0.00 +0.001 C ATOM 25 C LIG 1 7.799 -1.071 0.821 0.00 0.00 +0.005 C ENDBRANCH 21 22 ENDBRANCH 18 21 ENDBRANCH 17 18 ENDBRANCH 7 17 ENDBRANCH 1 11 BRANCH 5 26 ATOM 26 C LIG 1 -5.449 -0.698 -0.750 0.00 0.00 -0.007 A ATOM 27 C LIG 1 -6.607 0.063 -0.449 0.00 0.00 +0.028 A ATOM 28 C LIG 1 -7.752 -0.051 -1.260 0.00 0.00 +0.031 A ATOM 29 C LIG 1 -7.760 -0.885 -2.380 0.00 0.00 +0.052 A ATOM 30 C LIG 1 -6.621 -1.625 -2.693 0.00 0.00 +0.019 A ATOM 31 C LIG 1 -5.483 -1.535 -1.885 0.00 0.00 +0.010 A BRANCH 27 32 ATOM 32 C LIG 1 -6.703 0.947 0.714 0.00 0.00 +0.164 A ATOM 33 N LIG 1 -5.966 2.080 0.959 0.00 0.00 -0.317 N ATOM 34 C LIG 1 -4.976 2.709 0.128 0.00 0.00 +0.152 C ATOM 35 C LIG 1 -6.380 2.552 2.168 0.00 0.00 +0.225 A ATOM 36 N LIG 1 -7.336 1.785 2.634 0.00 0.00 -0.138 NA ATOM 37 N LIG 1 -7.550 0.787 1.715 0.00 0.00 -0.129 NA ENDBRANCH 27 32 BRANCH 29 38 ATOM 38 C LIG 1 -8.930 -0.980 -3.203 0.00 0.00 +0.099 C ATOM 39 N LIG 1 -9.867 -1.052 -3.884 0.00 0.00 -0.191 NA ENDBRANCH 29 38 ENDBRANCH 5 26 BRANCH 3 40 ATOM 40 C LIG 1 -3.091 -1.069 3.719 0.00 0.00 +0.038 C ATOM 41 C LIG 1 -3.977 -2.092 4.389 0.00 0.00 +0.010 C ATOM 42 C LIG 1 -4.233 -0.627 4.604 0.00 0.00 +0.010 C ENDBRANCH 3 40 TORSDOF 9