REMARK Name = BDB038593 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.792 -0.459 0.881 0.00 0.00 +0.129 A ATOM 2 N LIG 1 -2.179 -1.662 1.344 0.00 0.00 -0.236 NA ATOM 3 C LIG 1 -3.442 -1.869 1.787 0.00 0.00 +0.047 A ATOM 4 C LIG 1 -4.373 -0.834 1.743 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -4.009 0.427 1.262 0.00 0.00 -0.012 A ATOM 6 C LIG 1 -2.681 0.608 0.860 0.00 0.00 +0.052 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 3.878 -0.558 -1.182 0.00 0.00 -0.033 A ATOM 8 C LIG 1 2.904 -1.322 -0.520 0.00 0.00 +0.018 A ATOM 9 C LIG 1 1.676 -0.734 -0.275 0.00 0.00 +0.042 A ATOM 10 C LIG 1 0.491 -1.307 0.381 0.00 0.00 +0.253 C ATOM 11 N LIG 1 -0.480 -0.306 0.388 0.00 0.00 -0.248 N ATOM 12 C LIG 1 -0.009 0.913 -0.248 0.00 0.00 +0.151 C ATOM 13 O LIG 1 0.479 -2.452 0.794 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 1.385 0.572 -0.650 0.00 0.00 -0.018 A ATOM 15 C LIG 1 2.332 1.346 -1.296 0.00 0.00 +0.006 A ATOM 16 C LIG 1 3.584 0.774 -1.557 0.00 0.00 +0.005 A BRANCH 7 17 ATOM 17 C LIG 1 5.242 -1.148 -1.460 0.00 0.00 +0.116 C BRANCH 17 18 ATOM 18 N LIG 1 6.058 -1.140 -0.250 0.00 0.00 -0.310 NA ATOM 19 H LIG 1 6.056 -0.211 0.166 0.00 0.00 +0.122 HD BRANCH 18 20 ATOM 20 C LIG 1 7.426 -1.604 -0.499 0.00 0.00 +0.112 C BRANCH 20 21 ATOM 21 C LIG 1 8.514 -0.503 -0.472 0.00 0.00 +0.129 C ATOM 22 C LIG 1 8.309 0.540 -1.568 0.00 0.00 +0.039 C BRANCH 21 24 ATOM 23 C LIG 1 10.871 -0.445 -0.097 0.00 0.00 +0.194 C ATOM 24 O LIG 1 9.779 -1.156 -0.664 0.00 0.00 -0.379 OA ENDBRANCH 21 24 ENDBRANCH 20 21 ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 7 17 ENDBRANCH 1 11 BRANCH 5 25 ATOM 25 C LIG 1 -4.998 1.523 1.159 0.00 0.00 -0.007 A ATOM 26 C LIG 1 -5.221 2.248 -0.040 0.00 0.00 +0.028 A ATOM 27 C LIG 1 -6.145 3.308 -0.062 0.00 0.00 +0.031 A ATOM 28 C LIG 1 -6.873 3.646 1.081 0.00 0.00 +0.052 A ATOM 29 C LIG 1 -6.674 2.929 2.260 0.00 0.00 +0.019 A ATOM 30 C LIG 1 -5.746 1.884 2.298 0.00 0.00 +0.010 A BRANCH 26 31 ATOM 31 C LIG 1 -4.491 1.963 -1.274 0.00 0.00 +0.164 A ATOM 32 N LIG 1 -4.615 0.845 -2.061 0.00 0.00 -0.317 N ATOM 33 C LIG 1 -5.520 -0.262 -1.903 0.00 0.00 +0.152 C ATOM 34 C LIG 1 -3.697 0.975 -3.058 0.00 0.00 +0.225 A ATOM 35 N LIG 1 -3.053 2.108 -2.916 0.00 0.00 -0.138 NA ATOM 36 N LIG 1 -3.562 2.738 -1.805 0.00 0.00 -0.129 NA ENDBRANCH 26 31 BRANCH 28 37 ATOM 37 C LIG 1 -7.818 4.723 1.042 0.00 0.00 +0.099 C ATOM 38 N LIG 1 -8.592 5.587 1.013 0.00 0.00 -0.191 NA ENDBRANCH 28 37 ENDBRANCH 5 25 BRANCH 3 39 ATOM 39 C LIG 1 -3.758 -3.261 2.296 0.00 0.00 +0.038 C ATOM 40 C LIG 1 -4.708 -3.497 3.445 0.00 0.00 +0.010 C ATOM 41 C LIG 1 -5.098 -3.916 2.056 0.00 0.00 +0.010 C ENDBRANCH 3 39 TORSDOF 10