REMARK Name = BDB010633 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.201 0.613 -0.592 0.00 0.00 -0.308 N ATOM 2 C LIG 1 -0.100 1.944 -0.247 0.00 0.00 +0.115 A ATOM 3 C LIG 1 -1.269 2.190 0.458 0.00 0.00 +0.184 A ATOM 4 N LIG 1 -1.565 3.357 1.050 0.00 0.00 -0.202 NA ATOM 5 C LIG 1 -0.612 4.280 0.895 0.00 0.00 +0.220 A ATOM 6 N LIG 1 0.548 4.149 0.213 0.00 0.00 -0.221 NA ATOM 7 N LIG 1 -2.090 1.106 0.464 0.00 0.00 -0.194 NA ATOM 8 C LIG 1 0.823 2.972 -0.395 0.00 0.00 +0.102 A ATOM 9 C LIG 1 -1.471 0.186 -0.237 0.00 0.00 +0.201 A ENDROOT BRANCH 9 10 ATOM 10 N LIG 1 -1.936 -1.063 -0.541 0.00 0.00 -0.297 N ATOM 11 C LIG 1 -2.967 -1.598 0.397 0.00 0.00 +0.084 C ATOM 12 C LIG 1 -3.708 -2.792 -0.229 0.00 0.00 +0.035 C ATOM 13 C LIG 1 -4.654 -3.422 0.790 0.00 0.00 +0.165 C ATOM 14 O LIG 1 -3.939 -3.817 1.960 0.00 0.00 -0.379 OA ATOM 15 C LIG 1 -3.329 -2.707 2.616 0.00 0.00 +0.161 C ATOM 16 C LIG 1 -4.451 -2.371 -1.502 0.00 0.00 +0.009 C ATOM 17 C LIG 1 -3.702 -1.283 -2.272 0.00 0.00 +0.019 C ATOM 18 C LIG 1 -2.307 -2.041 1.709 0.00 0.00 +0.051 C ATOM 19 C LIG 1 -2.207 -1.311 -1.976 0.00 0.00 +0.108 C ENDBRANCH 9 10 BRANCH 5 20 ATOM 20 C LIG 1 -0.860 5.590 1.535 0.00 0.00 +0.287 A ATOM 21 O LIG 1 0.119 6.518 1.370 0.00 0.00 -0.385 OA ATOM 22 C LIG 1 -0.344 7.606 2.040 0.00 0.00 +0.436 A ATOM 23 O LIG 1 0.228 8.676 2.148 0.00 0.00 -0.221 OA ATOM 24 N LIG 1 -1.560 7.253 2.554 0.00 0.00 -0.208 N ATOM 25 H LIG 1 -2.160 7.849 3.107 0.00 0.00 +0.195 HD ATOM 26 N LIG 1 -1.887 5.974 2.234 0.00 0.00 -0.127 NA ENDBRANCH 5 20 BRANCH 8 27 ATOM 27 C LIG 1 2.048 2.921 -1.174 0.00 0.00 +0.022 A ATOM 28 C LIG 1 2.039 2.749 -2.565 0.00 0.00 +0.033 A ATOM 29 C LIG 1 3.239 2.709 -3.269 0.00 0.00 +0.060 A ATOM 30 CL LIG 1 3.243 2.472 -4.968 0.00 0.00 -0.082 Cl ATOM 31 C LIG 1 4.424 2.853 -2.566 0.00 0.00 +0.130 A ATOM 32 N LIG 1 4.481 3.038 -1.227 0.00 0.00 -0.261 NA ATOM 33 C LIG 1 3.295 3.087 -0.571 0.00 0.00 +0.120 A ENDBRANCH 8 27 BRANCH 1 34 ATOM 34 C LIG 1 0.853 -0.234 -1.127 0.00 0.00 +0.128 C BRANCH 34 39 ATOM 35 C LIG 1 3.987 -3.745 1.762 0.00 0.00 +0.007 C ATOM 36 C LIG 1 3.302 -3.209 0.504 0.00 0.00 -0.014 C ATOM 37 C LIG 1 4.076 -1.997 -0.043 0.00 0.00 +0.003 C ATOM 38 C LIG 1 3.192 -1.132 -0.933 0.00 0.00 +0.005 C ATOM 39 C LIG 1 2.011 -0.522 -0.148 0.00 0.00 +0.009 C ATOM 40 C LIG 1 1.588 -1.410 1.040 0.00 0.00 +0.005 C ATOM 41 C LIG 1 1.817 -2.892 0.763 0.00 0.00 +0.003 C ENDBRANCH 34 39 ENDBRANCH 1 34 TORSDOF 5