REMARK Name = BDB008149 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.223 -0.228 -1.085 0.00 0.00 +0.159 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 2.164 -0.882 -0.923 0.00 0.00 +0.234 C ATOM 3 N LIG 1 1.167 0.043 -0.712 0.00 0.00 -0.302 N ATOM 4 H LIG 1 1.343 0.826 -0.092 0.00 0.00 +0.150 HD ATOM 5 O LIG 1 1.973 -1.952 -1.500 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 C LIG 1 3.563 -0.442 -0.452 0.00 0.00 +0.156 C ATOM 7 C LIG 1 4.194 0.461 -1.503 0.00 0.00 +0.038 C BRANCH 6 10 ATOM 8 C LIG 1 5.082 -3.580 1.011 0.00 0.00 +0.109 C ATOM 9 C LIG 1 4.439 -2.219 0.996 0.00 0.00 +0.211 C ATOM 10 N LIG 1 4.368 -1.643 -0.253 0.00 0.00 -0.304 N ATOM 11 H LIG 1 4.370 -2.284 -1.039 0.00 0.00 +0.149 HD ATOM 12 O LIG 1 4.053 -1.666 2.020 0.00 0.00 -0.276 OA ENDBRANCH 6 10 ENDBRANCH 2 6 ENDBRANCH 1 3 BRANCH 1 13 ATOM 13 C LIG 1 -0.894 1.135 -1.324 0.00 0.00 +0.234 C ATOM 14 N LIG 1 -0.882 2.007 -0.253 0.00 0.00 -0.305 N ATOM 15 H LIG 1 -0.988 1.596 0.677 0.00 0.00 +0.149 HD ATOM 16 O LIG 1 -1.413 1.432 -2.400 0.00 0.00 -0.274 OA BRANCH 14 17 ATOM 17 C LIG 1 -1.422 3.346 -0.421 0.00 0.00 +0.199 C BRANCH 17 18 ATOM 18 C LIG 1 -2.950 3.316 -0.416 0.00 0.00 +0.228 C ATOM 19 O LIG 1 -3.623 3.216 0.607 0.00 0.00 -0.274 OA ATOM 20 N LIG 1 -3.532 3.279 -1.652 0.00 0.00 -0.328 N ATOM 21 H LIG 1 -4.525 3.084 -1.661 0.00 0.00 +0.145 HD ATOM 22 H LIG 1 -2.990 2.849 -2.402 0.00 0.00 +0.145 HD ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 1 13 BRANCH 1 23 ATOM 23 C LIG 1 -0.893 -1.114 -0.028 0.00 0.00 +0.033 C BRANCH 23 24 ATOM 24 C LIG 1 -2.348 -1.490 -0.335 0.00 0.00 +0.023 C BRANCH 24 25 ATOM 25 C LIG 1 -3.401 -0.564 0.280 0.00 0.00 +0.115 C BRANCH 25 26 ATOM 26 N LIG 1 -3.423 -0.685 1.726 0.00 0.00 -0.356 N ATOM 27 H LIG 1 -3.642 -1.621 2.046 0.00 0.00 +0.162 HD BRANCH 26 28 ATOM 28 C LIG 1 -2.766 0.085 2.617 0.00 0.00 +0.188 C ATOM 29 N LIG 1 -2.481 -0.281 3.813 0.00 0.00 -0.269 NA ATOM 30 H LIG 1 -2.828 -1.227 3.978 0.00 0.00 +0.190 HD BRANCH 28 31 ATOM 31 N LIG 1 -2.381 1.312 2.220 0.00 0.00 -0.370 N ATOM 32 H LIG 1 -3.151 1.836 1.791 0.00 0.00 +0.159 HD ATOM 33 H LIG 1 -2.089 1.822 3.051 0.00 0.00 +0.159 HD ENDBRANCH 28 31 ENDBRANCH 26 28 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 1 23 TORSDOF 12