REMARK Name = BDB038712 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.245 0.252 -1.192 0.00 0.00 -0.012 A ATOM 2 C LIG 1 1.918 -0.168 -1.050 0.00 0.00 +0.052 A ATOM 3 C LIG 1 0.961 0.696 -0.534 0.00 0.00 +0.129 A ATOM 4 N LIG 1 1.285 1.964 -0.218 0.00 0.00 -0.236 NA ATOM 5 C LIG 1 2.547 2.426 -0.382 0.00 0.00 +0.047 A ATOM 6 C LIG 1 3.543 1.577 -0.859 0.00 0.00 +0.032 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -0.355 0.248 -0.302 0.00 0.00 -0.248 N ATOM 8 C LIG 1 -1.391 1.039 0.193 0.00 0.00 +0.253 C ATOM 9 O LIG 1 -1.444 2.220 0.484 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 -2.558 0.156 0.339 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -2.193 -1.126 -0.055 0.00 0.00 -0.018 A ATOM 12 C LIG 1 -3.111 -2.160 -0.013 0.00 0.00 +0.006 A ATOM 13 C LIG 1 -4.406 -1.876 0.436 0.00 0.00 +0.005 A ATOM 14 C LIG 1 -4.775 -0.572 0.843 0.00 0.00 -0.033 A ATOM 15 C LIG 1 -3.830 0.464 0.786 0.00 0.00 +0.018 A ATOM 16 C LIG 1 -0.765 -1.135 -0.482 0.00 0.00 +0.151 C BRANCH 14 17 ATOM 17 C LIG 1 -6.188 -0.284 1.310 0.00 0.00 +0.116 C BRANCH 17 18 ATOM 18 N LIG 1 -6.931 0.406 0.252 0.00 0.00 -0.305 NA ATOM 19 H LIG 1 -6.805 -0.112 -0.617 0.00 0.00 +0.123 HD BRANCH 18 20 ATOM 20 C LIG 1 -8.344 0.731 0.537 0.00 0.00 +0.105 C ATOM 21 C LIG 1 -9.161 -0.475 1.020 0.00 0.00 +0.180 C ATOM 22 O LIG 1 -9.037 -0.038 2.404 0.00 0.00 -0.377 OA ATOM 23 C LIG 1 -8.601 1.276 1.947 0.00 0.00 +0.180 C ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 3 7 BRANCH 1 25 ATOM 24 C LIG 1 4.524 -1.944 -1.053 0.00 0.00 +0.028 A ATOM 25 C LIG 1 4.300 -0.678 -1.652 0.00 0.00 -0.007 A ATOM 26 C LIG 1 5.113 -0.310 -2.742 0.00 0.00 +0.010 A ATOM 27 C LIG 1 6.107 -1.163 -3.232 0.00 0.00 +0.019 A ATOM 28 C LIG 1 6.307 -2.413 -2.647 0.00 0.00 +0.052 A ATOM 29 C LIG 1 5.515 -2.802 -1.565 0.00 0.00 +0.031 A BRANCH 24 32 ATOM 30 C LIG 1 4.598 -0.920 1.913 0.00 0.00 +0.152 C ATOM 31 N LIG 1 3.756 -1.947 1.361 0.00 0.00 -0.317 N ATOM 32 C LIG 1 3.730 -2.428 0.075 0.00 0.00 +0.164 A ATOM 33 N LIG 1 2.829 -3.392 0.015 0.00 0.00 -0.129 NA ATOM 34 N LIG 1 2.239 -3.514 1.250 0.00 0.00 -0.138 NA ATOM 35 C LIG 1 2.809 -2.643 2.048 0.00 0.00 +0.225 A ENDBRANCH 24 32 BRANCH 28 36 ATOM 36 C LIG 1 7.319 -3.293 -3.154 0.00 0.00 +0.099 C ATOM 37 N LIG 1 8.147 -3.997 -3.560 0.00 0.00 -0.191 NA ENDBRANCH 28 36 ENDBRANCH 1 25 BRANCH 5 38 ATOM 38 C LIG 1 2.789 3.873 -0.002 0.00 0.00 +0.038 C ATOM 39 C LIG 1 4.069 4.322 0.662 0.00 0.00 +0.010 C ATOM 40 C LIG 1 3.770 4.744 -0.749 0.00 0.00 +0.010 C ENDBRANCH 5 38 TORSDOF 8