REMARK Name = BDB038436 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.344 0.145 -1.153 0.00 0.00 -0.012 A ATOM 2 C LIG 1 -3.005 0.555 -1.166 0.00 0.00 +0.052 A ATOM 3 C LIG 1 -1.984 -0.381 -1.279 0.00 0.00 +0.129 A ATOM 4 N LIG 1 -2.267 -1.687 -1.436 0.00 0.00 -0.236 NA ATOM 5 C LIG 1 -3.550 -2.115 -1.466 0.00 0.00 +0.047 A ATOM 6 C LIG 1 -4.603 -1.217 -1.321 0.00 0.00 +0.032 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -0.634 0.021 -1.200 0.00 0.00 -0.248 N ATOM 8 C LIG 1 0.460 -0.836 -1.306 0.00 0.00 +0.253 C ATOM 9 O LIG 1 0.542 -2.033 -1.513 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 1.659 -0.009 -1.111 0.00 0.00 +0.042 A ATOM 11 C LIG 1 1.259 1.303 -0.885 0.00 0.00 -0.018 A ATOM 12 C LIG 1 2.197 2.293 -0.663 0.00 0.00 +0.006 A ATOM 13 C LIG 1 3.550 1.933 -0.679 0.00 0.00 +0.005 A ATOM 14 C LIG 1 3.958 0.598 -0.915 0.00 0.00 -0.033 A ATOM 15 C LIG 1 2.989 -0.391 -1.130 0.00 0.00 +0.018 A ATOM 16 C LIG 1 -0.229 1.389 -0.921 0.00 0.00 +0.151 C BRANCH 14 17 ATOM 17 C LIG 1 5.428 0.243 -0.915 0.00 0.00 +0.116 C BRANCH 17 18 ATOM 18 N LIG 1 5.977 0.339 0.438 0.00 0.00 -0.307 NA ATOM 19 H LIG 1 5.450 -0.304 1.033 0.00 0.00 +0.123 HD BRANCH 18 20 ATOM 20 C LIG 1 7.395 -0.038 0.476 0.00 0.00 +0.082 C ATOM 21 C LIG 1 8.067 0.380 1.799 0.00 0.00 +0.131 C ATOM 22 C LIG 1 9.303 -0.512 1.909 0.00 0.00 +0.033 C ATOM 23 C LIG 1 9.056 -1.700 0.973 0.00 0.00 +0.004 C ATOM 24 C LIG 1 7.627 -1.551 0.464 0.00 0.00 +0.021 C BRANCH 21 25 ATOM 25 O LIG 1 7.200 0.120 2.905 0.00 0.00 -0.390 OA ATOM 26 H LIG 1 6.388 0.624 2.702 0.00 0.00 +0.210 HD ENDBRANCH 21 25 ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 3 7 BRANCH 1 28 ATOM 27 C LIG 1 -5.476 2.016 0.148 0.00 0.00 +0.028 A ATOM 28 C LIG 1 -5.443 1.113 -0.945 0.00 0.00 -0.007 A ATOM 29 C LIG 1 -6.500 1.164 -1.876 0.00 0.00 +0.010 A ATOM 30 C LIG 1 -7.548 2.079 -1.740 0.00 0.00 +0.019 A ATOM 31 C LIG 1 -7.562 2.975 -0.670 0.00 0.00 +0.052 A ATOM 32 C LIG 1 -6.526 2.945 0.266 0.00 0.00 +0.031 A BRANCH 27 35 ATOM 33 C LIG 1 -4.881 -0.127 2.365 0.00 0.00 +0.152 C ATOM 34 N LIG 1 -4.163 1.092 2.108 0.00 0.00 -0.317 N ATOM 35 C LIG 1 -4.425 2.054 1.164 0.00 0.00 +0.164 A ATOM 36 N LIG 1 -3.535 3.020 1.304 0.00 0.00 -0.129 NA ATOM 37 N LIG 1 -2.668 2.671 2.312 0.00 0.00 -0.138 NA ATOM 38 C LIG 1 -3.060 1.513 2.787 0.00 0.00 +0.225 A ENDBRANCH 27 35 BRANCH 31 39 ATOM 39 C LIG 1 -8.631 3.919 -0.535 0.00 0.00 +0.099 C ATOM 40 N LIG 1 -9.505 4.675 -0.423 0.00 0.00 -0.191 NA ENDBRANCH 31 39 ENDBRANCH 1 28 BRANCH 5 41 ATOM 41 C LIG 1 -3.817 -3.590 -1.657 0.00 0.00 +0.038 C ATOM 42 C LIG 1 -4.336 -4.419 -0.504 0.00 0.00 +0.010 C ATOM 43 C LIG 1 -2.929 -4.612 -0.984 0.00 0.00 +0.010 C ENDBRANCH 5 41 TORSDOF 9