REMARK Name = BDB043039 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.851 -0.014 0.238 0.00 0.00 +0.126 A ATOM 2 N LIG 1 0.466 -1.383 0.186 0.00 0.00 -0.200 N ATOM 3 C LIG 1 -0.849 -1.762 0.495 0.00 0.00 +0.163 A ATOM 4 C LIG 1 -0.892 -3.124 0.333 0.00 0.00 +0.020 A ATOM 5 C LIG 1 0.394 -3.514 -0.040 0.00 0.00 +0.141 A ATOM 6 N LIG 1 -1.808 -0.865 0.865 0.00 0.00 -0.213 NA ATOM 7 C LIG 1 -1.475 0.399 0.912 0.00 0.00 +0.124 A ATOM 8 N LIG 1 1.229 -2.480 -0.137 0.00 0.00 -0.171 NA ATOM 9 C LIG 1 -0.090 0.881 0.590 0.00 0.00 +0.087 A ENDROOT BRANCH 4 10 ATOM 10 C LIG 1 -2.113 -4.035 0.559 0.00 0.00 +0.024 C ATOM 11 C LIG 1 -2.488 -5.053 -0.487 0.00 0.00 +0.009 C ATOM 12 C LIG 1 -3.341 -3.835 -0.292 0.00 0.00 +0.009 C ENDBRANCH 4 10 BRANCH 1 13 ATOM 13 N LIG 1 2.149 0.395 -0.072 0.00 0.00 -0.323 N ATOM 14 H LIG 1 2.394 1.346 0.202 0.00 0.00 +0.148 HD BRANCH 13 15 ATOM 15 C LIG 1 3.337 -0.449 -0.135 0.00 0.00 +0.160 C BRANCH 15 21 ATOM 16 C LIG 1 8.820 -0.037 -1.378 0.00 0.00 +0.064 C ATOM 17 C LIG 1 8.075 1.122 -0.790 0.00 0.00 +0.022 A ATOM 18 N LIG 1 6.706 0.989 -0.489 0.00 0.00 -0.304 N ATOM 19 C LIG 1 5.933 2.012 0.058 0.00 0.00 +0.138 A ATOM 20 N LIG 1 4.685 1.635 0.243 0.00 0.00 -0.231 NA ATOM 21 C LIG 1 4.627 0.324 -0.193 0.00 0.00 +0.077 A ATOM 22 C LIG 1 6.579 3.251 0.321 0.00 0.00 +0.047 A ATOM 23 C LIG 1 7.887 3.395 0.039 0.00 0.00 +0.005 A ATOM 24 C LIG 1 5.864 -0.087 -0.645 0.00 0.00 +0.117 A ATOM 25 C LIG 1 8.666 2.308 -0.532 0.00 0.00 +0.021 A ENDBRANCH 15 21 ENDBRANCH 13 15 ENDBRANCH 1 13 BRANCH 7 26 ATOM 26 N LIG 1 -2.413 1.342 1.265 0.00 0.00 -0.329 N ATOM 27 H LIG 1 -2.147 2.319 1.273 0.00 0.00 +0.147 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.801 1.058 1.587 0.00 0.00 +0.109 C BRANCH 28 29 ATOM 29 C LIG 1 -4.716 1.392 0.397 0.00 0.00 +0.037 C ATOM 30 C LIG 1 -6.199 1.371 0.801 0.00 0.00 +0.133 C ATOM 31 C LIG 1 -7.113 1.717 -0.400 0.00 0.00 +0.112 C ATOM 32 N LIG 1 -6.572 1.382 -1.723 0.00 0.00 -0.314 NA ATOM 33 H LIG 1 -6.013 2.162 -2.069 0.00 0.00 +0.122 HD ATOM 34 C LIG 1 -5.725 0.196 -1.648 0.00 0.00 +0.081 C ATOM 35 C LIG 1 -4.476 0.445 -0.800 0.00 0.00 +0.023 C BRANCH 30 36 ATOM 36 O LIG 1 -6.432 2.292 1.867 0.00 0.00 -0.390 OA ATOM 37 H LIG 1 -6.315 3.194 1.520 0.00 0.00 +0.210 HD ENDBRANCH 30 36 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 7 26 TORSDOF 8