REMARK Name = BDB061734 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.399 -1.848 -0.115 0.00 0.00 -0.030 A ATOM 2 C LIG 1 -1.293 -1.489 -1.130 0.00 0.00 +0.007 A ATOM 3 C LIG 1 -2.585 -1.046 -0.821 0.00 0.00 +0.023 A ATOM 4 C LIG 1 -3.003 -0.946 0.507 0.00 0.00 +0.035 A ATOM 5 C LIG 1 -2.111 -1.308 1.523 0.00 0.00 +0.023 A ATOM 6 C LIG 1 -0.821 -1.750 1.217 0.00 0.00 +0.007 A ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 -4.289 -0.518 0.899 0.00 0.00 -0.269 N ATOM 8 H LIG 1 -4.452 -0.470 1.892 0.00 0.00 +0.156 HD ATOM 9 C LIG 1 -5.277 0.038 0.096 0.00 0.00 +0.308 C ATOM 10 N LIG 1 -6.443 0.206 0.831 0.00 0.00 -0.269 N ATOM 11 H LIG 1 -6.494 -0.305 1.697 0.00 0.00 +0.156 HD ATOM 12 O LIG 1 -5.139 0.334 -1.083 0.00 0.00 -0.252 OA BRANCH 10 13 ATOM 13 C LIG 1 -7.635 0.837 0.418 0.00 0.00 +0.035 A ATOM 14 C LIG 1 -7.763 1.566 -0.766 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -8.980 2.172 -1.097 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -10.077 2.057 -0.247 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -9.958 1.339 0.939 0.00 0.00 +0.002 A ATOM 18 C LIG 1 -8.743 0.734 1.271 0.00 0.00 +0.023 A ENDBRANCH 10 13 ENDBRANCH 4 7 BRANCH 1 19 ATOM 19 C LIG 1 1.002 -2.312 -0.443 0.00 0.00 +0.138 C BRANCH 19 20 ATOM 20 N LIG 1 1.944 -1.280 -0.027 0.00 0.00 -0.324 N ATOM 21 H LIG 1 1.692 -0.381 -0.431 0.00 0.00 +0.148 HD BRANCH 20 31 ATOM 22 C LIG 1 6.393 1.154 0.638 0.00 0.00 +0.158 A ATOM 23 C LIG 1 5.077 1.488 0.954 0.00 0.00 +0.166 A ATOM 24 F LIG 1 4.800 2.656 1.551 0.00 0.00 -0.202 F ATOM 25 C LIG 1 4.029 0.625 0.664 0.00 0.00 +0.055 A ATOM 26 C LIG 1 4.282 -0.613 0.032 0.00 0.00 +0.043 A ATOM 27 C LIG 1 5.603 -0.963 -0.284 0.00 0.00 +0.080 A ATOM 28 N LIG 1 5.918 -2.123 -0.864 0.00 0.00 -0.235 NA ATOM 29 C LIG 1 4.906 -2.959 -1.123 0.00 0.00 +0.223 A ATOM 30 N LIG 1 3.612 -2.737 -0.873 0.00 0.00 -0.220 NA ATOM 31 C LIG 1 3.297 -1.558 -0.312 0.00 0.00 +0.130 A ATOM 32 C LIG 1 6.633 -0.074 0.018 0.00 0.00 +0.077 A BRANCH 22 33 ATOM 33 O LIG 1 7.335 2.088 0.965 0.00 0.00 -0.489 OA BRANCH 33 35 ATOM 34 C LIG 1 9.214 2.139 -0.566 0.00 0.00 +0.048 C ATOM 35 C LIG 1 8.717 1.768 0.820 0.00 0.00 +0.226 C ENDBRANCH 33 35 ENDBRANCH 22 33 ENDBRANCH 20 31 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 7