REMARK Name = BDB014551 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.723 0.793 -0.714 0.00 0.00 +0.251 C ATOM 2 N LIG 1 0.463 1.262 -0.409 0.00 0.00 -0.310 N ATOM 3 H LIG 1 -0.046 0.808 0.344 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 2.238 0.976 -1.814 0.00 0.00 -0.272 OA ENDROOT BRANCH 1 5 ATOM 5 C LIG 1 2.389 0.022 0.431 0.00 0.00 +0.324 C BRANCH 5 6 ATOM 6 O LIG 1 3.752 -0.313 0.231 0.00 0.00 -0.479 OA BRANCH 6 8 ATOM 7 C LIG 1 6.041 0.248 0.357 0.00 0.00 +0.158 A ATOM 8 C LIG 1 4.696 0.656 0.457 0.00 0.00 +0.161 A ATOM 9 C LIG 1 4.441 1.991 0.767 0.00 0.00 +0.050 A ATOM 10 C LIG 1 5.508 2.861 0.974 0.00 0.00 +0.023 A ATOM 11 C LIG 1 6.795 2.364 0.861 0.00 0.00 +0.113 A ATOM 12 N LIG 1 7.079 1.081 0.560 0.00 0.00 -0.237 NA BRANCH 7 13 ATOM 13 N LIG 1 6.345 -1.085 0.008 0.00 0.00 -0.340 N ATOM 14 H LIG 1 5.849 -1.688 0.657 0.00 0.00 +0.144 HD ATOM 15 H LIG 1 5.924 -1.251 -0.904 0.00 0.00 +0.144 HD ENDBRANCH 7 13 ENDBRANCH 6 8 ENDBRANCH 5 6 ENDBRANCH 1 5 BRANCH 2 16 ATOM 16 C LIG 1 -0.362 1.953 -1.390 0.00 0.00 +0.136 C BRANCH 16 17 ATOM 17 C LIG 1 -0.875 1.064 -2.544 0.00 0.00 +0.145 C BRANCH 17 18 ATOM 18 O LIG 1 0.128 0.920 -3.559 0.00 0.00 -0.389 OA ATOM 19 H LIG 1 1.004 0.895 -3.114 0.00 0.00 +0.210 HD ENDBRANCH 17 18 BRANCH 17 20 ATOM 20 C LIG 1 -1.343 -0.344 -2.107 0.00 0.00 +0.117 C BRANCH 20 21 ATOM 21 N LIG 1 -2.208 -0.379 -0.913 0.00 0.00 -0.295 NA ATOM 22 C LIG 1 -2.361 -1.776 -0.453 0.00 0.00 +0.120 C ATOM 23 C LIG 1 -3.319 -1.921 0.710 0.00 0.00 -0.030 A ATOM 24 C LIG 1 -4.304 -0.948 0.956 0.00 0.00 -0.042 A ATOM 25 C LIG 1 -5.200 -1.117 2.020 0.00 0.00 +0.004 A ATOM 26 C LIG 1 -5.136 -2.257 2.819 0.00 0.00 +0.000 A ATOM 27 C LIG 1 -4.176 -3.234 2.565 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -4.353 0.302 0.115 0.00 0.00 +0.051 C ATOM 29 C LIG 1 -3.273 -3.070 1.514 0.00 0.00 +0.005 A ATOM 30 C LIG 1 -3.545 0.179 -1.185 0.00 0.00 +0.089 C ENDBRANCH 20 21 ENDBRANCH 17 20 ENDBRANCH 16 17 ENDBRANCH 2 16 TORSDOF 9