REMARK Name = BDB047108 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.741 -1.852 1.757 0.00 0.00 +0.080 A ATOM 2 C LIG 1 -1.395 -2.470 2.967 0.00 0.00 +0.129 A ATOM 3 C LIG 1 -0.158 -2.230 3.562 0.00 0.00 +0.048 A ATOM 4 C LIG 1 0.767 -1.385 2.945 0.00 0.00 +0.031 A ATOM 5 C LIG 1 0.453 -0.784 1.719 0.00 0.00 +0.068 A ATOM 6 C LIG 1 -0.800 -1.025 1.124 0.00 0.00 +0.044 A ENDROOT BRANCH 5 7 ATOM 7 N LIG 1 1.382 0.067 1.065 0.00 0.00 -0.220 N ATOM 8 N LIG 1 1.082 0.674 -0.110 0.00 0.00 -0.061 NA ATOM 9 N LIG 1 2.118 1.412 -0.481 0.00 0.00 -0.134 NA ATOM 10 C LIG 1 3.098 1.272 0.459 0.00 0.00 +0.085 A ATOM 11 C LIG 1 2.653 0.424 1.449 0.00 0.00 +0.139 A BRANCH 10 12 ATOM 12 C LIG 1 4.400 1.974 0.327 0.00 0.00 +0.077 C BRANCH 12 13 ATOM 13 C LIG 1 5.190 1.492 -0.893 0.00 0.00 +0.110 C BRANCH 13 14 ATOM 14 N LIG 1 6.487 2.151 -0.980 0.00 0.00 -0.313 N ATOM 15 H LIG 1 6.813 2.332 -1.924 0.00 0.00 +0.149 HD BRANCH 14 16 ATOM 16 C LIG 1 7.535 1.489 -0.357 0.00 0.00 +0.215 A ATOM 17 N LIG 1 7.331 0.788 0.769 0.00 0.00 -0.223 NA ATOM 18 C LIG 1 8.404 0.185 1.314 0.00 0.00 +0.116 A ATOM 19 C LIG 1 9.665 0.248 0.776 0.00 0.00 +0.039 A ATOM 20 C LIG 1 9.768 0.981 -0.379 0.00 0.00 +0.116 A ATOM 21 N LIG 1 8.725 1.603 -0.961 0.00 0.00 -0.223 NA ENDBRANCH 14 16 ENDBRANCH 13 14 ENDBRANCH 12 13 ENDBRANCH 10 12 ENDBRANCH 5 7 BRANCH 1 24 ATOM 22 N LIG 1 -3.598 -1.113 0.350 0.00 0.00 -0.281 N ATOM 23 H LIG 1 -3.093 -0.236 0.311 0.00 0.00 +0.155 HD ATOM 24 C LIG 1 -3.085 -2.110 1.159 0.00 0.00 +0.252 C ATOM 25 O LIG 1 -3.646 -3.157 1.472 0.00 0.00 -0.270 OA BRANCH 22 28 ATOM 26 C LIG 1 -6.378 0.106 -1.771 0.00 0.00 +0.061 A ATOM 27 C LIG 1 -5.184 0.039 -1.036 0.00 0.00 +0.038 A ATOM 28 C LIG 1 -4.818 -1.133 -0.362 0.00 0.00 +0.034 A ATOM 29 C LIG 1 -5.659 -2.245 -0.440 0.00 0.00 +0.023 A ATOM 30 C LIG 1 -6.849 -2.187 -1.171 0.00 0.00 +0.003 A ATOM 31 C LIG 1 -7.211 -1.016 -1.835 0.00 0.00 +0.015 A BRANCH 26 32 ATOM 32 C LIG 1 -6.705 1.385 -2.457 0.00 0.00 +0.339 C ATOM 33 O LIG 1 -5.998 2.379 -2.396 0.00 0.00 -0.245 OA BRANCH 32 35 ATOM 34 C LIG 1 -8.251 2.475 -3.825 0.00 0.00 +0.280 C ATOM 35 O LIG 1 -7.873 1.281 -3.139 0.00 0.00 -0.464 OA ENDBRANCH 32 35 ENDBRANCH 26 32 ENDBRANCH 22 28 ENDBRANCH 1 24 BRANCH 2 36 ATOM 36 O LIG 1 -2.224 -3.332 3.635 0.00 0.00 -0.506 OA ATOM 37 H LIG 1 -2.974 -3.551 3.037 0.00 0.00 +0.292 HD ENDBRANCH 2 36 TORSDOF 10