REMARK Name = BDB055735 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.391 -2.217 -3.159 0.00 0.00 -0.307 N ATOM 2 H LIG 1 0.807 -3.079 -2.825 0.00 0.00 +0.149 HD ATOM 3 C LIG 1 1.165 -1.079 -3.041 0.00 0.00 +0.213 C ATOM 4 O LIG 1 0.692 0.051 -3.014 0.00 0.00 -0.276 OA ENDROOT BRANCH 1 5 ATOM 5 C LIG 1 -1.048 -2.119 -2.972 0.00 0.00 +0.200 C BRANCH 5 10 ATOM 6 N LIG 1 -3.598 0.327 0.321 0.00 0.00 -0.327 N ATOM 7 C LIG 1 -3.371 0.343 -1.151 0.00 0.00 +0.124 C ATOM 8 C LIG 1 -3.547 -1.079 -1.735 0.00 0.00 +0.126 C ATOM 9 N LIG 1 -2.657 -2.025 -1.045 0.00 0.00 -0.297 N ATOM 10 C LIG 1 -1.381 -2.353 -1.489 0.00 0.00 +0.233 C ATOM 11 O LIG 1 -0.548 -2.882 -0.744 0.00 0.00 -0.274 OA ATOM 12 C LIG 1 -2.908 -2.077 0.402 0.00 0.00 +0.126 C ATOM 13 C LIG 1 -2.751 -0.671 1.024 0.00 0.00 +0.124 C BRANCH 6 17 ATOM 14 C LIG 1 -7.549 1.211 1.614 0.00 0.00 +0.120 A ATOM 15 C LIG 1 -6.885 2.029 0.706 0.00 0.00 +0.047 A ATOM 16 C LIG 1 -5.582 1.725 0.292 0.00 0.00 +0.027 A ATOM 17 C LIG 1 -4.899 0.589 0.756 0.00 0.00 +0.030 A ATOM 18 C LIG 1 -5.580 -0.205 1.689 0.00 0.00 +0.027 A ATOM 19 C LIG 1 -6.888 0.092 2.109 0.00 0.00 +0.047 A BRANCH 14 21 ATOM 20 C LIG 1 -9.521 0.816 2.878 0.00 0.00 +0.277 C ATOM 21 O LIG 1 -8.814 1.613 1.936 0.00 0.00 -0.495 OA ENDBRANCH 14 21 ENDBRANCH 6 17 ENDBRANCH 5 10 ENDBRANCH 1 5 BRANCH 3 22 ATOM 22 C LIG 1 2.651 -1.380 -2.976 0.00 0.00 +0.097 C BRANCH 22 23 ATOM 23 C LIG 1 3.510 -0.156 -2.657 0.00 0.00 +0.024 C BRANCH 23 24 ATOM 24 C LIG 1 3.322 0.323 -1.209 0.00 0.00 +0.085 C BRANCH 24 25 ATOM 25 N LIG 1 4.240 1.439 -0.920 0.00 0.00 -0.294 NA ATOM 26 C LIG 1 5.444 1.072 -0.130 0.00 0.00 +0.105 C ATOM 27 C LIG 1 6.274 -0.096 -0.708 0.00 0.00 +0.128 C ATOM 28 N LIG 1 7.419 -0.406 0.123 0.00 0.00 -0.310 N ATOM 29 H LIG 1 8.199 -0.921 -0.267 0.00 0.00 +0.149 HD ATOM 30 C LIG 1 7.308 -0.506 1.489 0.00 0.00 +0.244 C ATOM 31 C LIG 1 6.085 0.077 2.113 0.00 0.00 +0.042 A ATOM 32 C LIG 1 5.871 -0.114 3.482 0.00 0.00 +0.013 A ATOM 33 C LIG 1 4.746 0.434 4.096 0.00 0.00 +0.001 A ATOM 34 C LIG 1 3.836 1.181 3.347 0.00 0.00 +0.004 A ATOM 35 C LIG 1 4.045 1.391 1.977 0.00 0.00 -0.041 A ATOM 36 C LIG 1 3.039 2.181 1.177 0.00 0.00 +0.051 C ATOM 37 O LIG 1 8.181 -1.049 2.154 0.00 0.00 -0.270 OA ATOM 38 C LIG 1 5.167 0.821 1.347 0.00 0.00 -0.013 A ATOM 39 C LIG 1 3.546 2.544 -0.228 0.00 0.00 +0.089 C ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 3 22 TORSDOF 8