REMARK Name = BDB010414 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.661 -0.217 0.539 0.00 0.00 +0.149 A ATOM 2 C LIG 1 0.632 0.721 0.615 0.00 0.00 +0.129 A ATOM 3 C LIG 1 0.686 1.719 1.579 0.00 0.00 +0.185 A ATOM 4 N LIG 1 -0.401 2.537 1.525 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 -1.111 2.107 0.514 0.00 0.00 +0.201 A ATOM 6 N LIG 1 1.682 1.867 2.464 0.00 0.00 -0.202 NA ATOM 7 C LIG 1 2.646 0.957 2.303 0.00 0.00 +0.221 A ATOM 8 N LIG 1 -0.535 0.991 -0.067 0.00 0.00 -0.307 N ATOM 9 N LIG 1 2.678 -0.050 1.405 0.00 0.00 -0.206 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 3.804 1.042 3.215 0.00 0.00 +0.287 A ATOM 11 O LIG 1 3.776 2.056 4.120 0.00 0.00 -0.385 OA ATOM 12 C LIG 1 4.931 1.907 4.818 0.00 0.00 +0.436 A ATOM 13 O LIG 1 5.311 2.612 5.736 0.00 0.00 -0.221 OA ATOM 14 N LIG 1 5.566 0.820 4.285 0.00 0.00 -0.208 N ATOM 15 H LIG 1 6.457 0.454 4.591 0.00 0.00 +0.195 HD ATOM 16 N LIG 1 4.852 0.270 3.269 0.00 0.00 -0.127 NA ENDBRANCH 7 10 BRANCH 5 17 ATOM 17 N LIG 1 -2.274 2.639 0.053 0.00 0.00 -0.289 N ATOM 18 C LIG 1 -2.164 3.692 -1.018 0.00 0.00 +0.180 C ATOM 19 C LIG 1 -3.448 4.511 -0.829 0.00 0.00 +0.033 C ATOM 20 C LIG 1 -3.627 4.525 0.676 0.00 0.00 +0.021 C ATOM 21 C LIG 1 -3.213 3.119 1.092 0.00 0.00 +0.108 C BRANCH 18 22 ATOM 22 C LIG 1 -0.913 4.605 -1.016 0.00 0.00 +0.408 C ATOM 23 F LIG 1 -0.752 5.293 0.131 0.00 0.00 -0.169 F ATOM 24 F LIG 1 -1.016 5.520 -2.017 0.00 0.00 -0.169 F ATOM 25 F LIG 1 0.218 3.903 -1.262 0.00 0.00 -0.169 F ENDBRANCH 18 22 ENDBRANCH 5 17 BRANCH 1 26 ATOM 26 N LIG 1 1.670 -1.267 -0.363 0.00 0.00 -0.324 N ATOM 27 H LIG 1 0.745 -1.651 -0.501 0.00 0.00 +0.148 HD BRANCH 26 29 ATOM 28 C LIG 1 2.644 -3.146 0.939 0.00 0.00 +0.028 C ATOM 29 C LIG 1 2.702 -2.313 -0.340 0.00 0.00 +0.072 C BRANCH 29 30 ATOM 30 C LIG 1 4.116 -1.796 -0.605 0.00 0.00 +0.009 C ATOM 31 C LIG 1 4.342 -1.057 -1.954 0.00 0.00 +0.005 C ATOM 32 C LIG 1 5.733 -1.721 -2.003 0.00 0.00 +0.001 C ATOM 33 C LIG 1 5.149 -2.840 -1.119 0.00 0.00 +0.005 C ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 1 26 BRANCH 8 34 ATOM 34 C LIG 1 -1.078 0.290 -1.216 0.00 0.00 +0.128 C BRANCH 34 35 ATOM 35 C LIG 1 -2.328 -0.558 -0.910 0.00 0.00 +0.009 C ATOM 36 C LIG 1 -2.025 -1.743 0.019 0.00 0.00 +0.005 C ATOM 37 C LIG 1 -3.272 -2.586 0.280 0.00 0.00 +0.003 C ATOM 38 C LIG 1 -3.901 -3.084 -1.027 0.00 0.00 -0.014 C ATOM 39 C LIG 1 -5.172 -3.882 -0.745 0.00 0.00 +0.007 C ATOM 40 C LIG 1 -4.195 -1.911 -1.970 0.00 0.00 +0.003 C ATOM 41 C LIG 1 -2.951 -1.061 -2.222 0.00 0.00 +0.005 C ENDBRANCH 34 35 ENDBRANCH 8 34 TORSDOF 8