REMARK Name = BDB025158 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.633 1.430 -0.351 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.867 0.260 -0.479 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.515 -1.015 -0.876 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.403 -1.564 0.255 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.548 -2.140 -1.283 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.367 -1.586 -2.047 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.667 -0.615 -1.143 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.259 -0.561 -1.056 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.329 -1.333 -1.703 0.00 0.00 -0.228 NA ATOM 10 C LIG 1 -0.854 -0.922 -1.281 0.00 0.00 +0.152 A ATOM 11 N LIG 1 -0.711 0.125 -0.383 0.00 0.00 -0.321 N ATOM 12 C LIG 1 0.640 0.365 -0.226 0.00 0.00 +0.070 A ATOM 13 C LIG 1 1.375 1.271 0.544 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.772 1.222 0.441 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.432 0.300 -0.385 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.209 2.550 -0.086 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.797 0.807 0.315 0.00 0.00 +0.089 C ATOM 18 C LIG 1 -1.873 2.316 0.015 0.00 0.00 +0.026 C ATOM 19 C LIG 1 -2.483 3.119 1.166 0.00 0.00 +0.017 C ATOM 20 C LIG 1 -3.598 2.340 1.869 0.00 0.00 +0.098 C ATOM 21 C LIG 1 -3.074 1.037 2.489 0.00 0.00 +0.017 C ATOM 22 C LIG 1 -1.806 0.503 1.818 0.00 0.00 +0.026 C BRANCH 20 23 ATOM 23 C LIG 1 -4.267 3.190 2.926 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -3.860 4.237 3.399 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -5.439 2.665 3.336 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -5.763 3.303 4.007 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 20 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 7.792 2.366 -0.472 0.00 0.00 +0.282 C ATOM 28 O LIG 1 6.961 1.211 -0.599 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.187 -1.497 -1.696 0.00 0.00 +0.238 C ATOM 30 C LIG 1 -2.043 -2.488 -2.849 0.00 0.00 +0.060 C BRANCH 29 31 ATOM 31 O LIG 1 -2.679 -2.192 -0.544 0.00 0.00 -0.465 OA BRANCH 31 32 ATOM 32 C LIG 1 -4.049 -2.198 -0.404 0.00 0.00 +0.215 A ATOM 33 N LIG 1 -4.807 -1.342 -1.119 0.00 0.00 -0.221 NA ATOM 34 C LIG 1 -6.136 -1.379 -0.892 0.00 0.00 +0.114 A ATOM 35 C LIG 1 -6.743 -2.221 0.028 0.00 0.00 +0.020 A ATOM 36 C LIG 1 -5.935 -3.081 0.763 0.00 0.00 +0.007 A ATOM 37 C LIG 1 -4.560 -3.070 0.546 0.00 0.00 +0.067 A ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 10 29 TORSDOF 7