REMARK Name = BDB003787 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.557 0.273 -1.165 0.00 0.00 +0.248 C ATOM 2 N LIG 1 -0.177 0.337 -1.116 0.00 0.00 -0.282 N ATOM 3 H LIG 1 0.276 0.987 -1.746 0.00 0.00 +0.155 HD ATOM 4 O LIG 1 -2.300 -0.343 -0.410 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 -3.986 2.526 -2.975 0.00 0.00 +0.034 A ATOM 6 C LIG 1 -3.352 1.787 -1.976 0.00 0.00 +0.036 A ATOM 7 C LIG 1 -2.175 1.076 -2.255 0.00 0.00 +0.039 A ATOM 8 C LIG 1 -1.619 1.102 -3.538 0.00 0.00 +0.013 A ATOM 9 C LIG 1 -2.229 1.862 -4.532 0.00 0.00 +0.003 A ATOM 10 C LIG 1 -3.397 2.574 -4.248 0.00 0.00 +0.023 A BRANCH 5 12 ATOM 11 C LIG 1 -6.088 3.362 -1.802 0.00 0.00 +0.241 C ATOM 12 N LIG 1 -5.165 3.275 -2.803 0.00 0.00 -0.282 N ATOM 13 H LIG 1 -5.384 3.937 -3.537 0.00 0.00 +0.155 HD ATOM 14 O LIG 1 -6.912 4.277 -1.816 0.00 0.00 -0.271 OA BRANCH 11 16 ATOM 15 C LIG 1 -6.369 1.066 -0.971 0.00 0.00 -0.007 C ATOM 16 C LIG 1 -6.148 2.367 -0.718 0.00 0.00 +0.064 C BRANCH 15 17 ATOM 17 C LIG 1 -6.456 -0.035 0.050 0.00 0.00 +0.111 C BRANCH 17 19 ATOM 18 C LIG 1 -6.135 -0.623 2.362 0.00 0.00 +0.104 C ATOM 19 N LIG 1 -6.586 0.422 1.441 0.00 0.00 -0.305 NA ATOM 20 C LIG 1 -7.972 0.789 1.750 0.00 0.00 +0.104 C ENDBRANCH 17 19 ENDBRANCH 15 17 ENDBRANCH 11 16 ENDBRANCH 5 12 ENDBRANCH 1 7 BRANCH 2 21 ATOM 21 C LIG 1 0.679 -0.342 -0.225 0.00 0.00 +0.034 A ATOM 22 C LIG 1 2.047 -0.071 -0.318 0.00 0.00 +0.025 A ATOM 23 C LIG 1 2.965 -0.710 0.526 0.00 0.00 +0.025 A ATOM 24 C LIG 1 2.547 -1.630 1.489 0.00 0.00 +0.034 A ATOM 25 C LIG 1 1.173 -1.900 1.565 0.00 0.00 +0.025 A ATOM 26 C LIG 1 0.248 -1.265 0.723 0.00 0.00 +0.025 A BRANCH 24 27 ATOM 27 N LIG 1 3.413 -2.321 2.341 0.00 0.00 -0.284 N ATOM 28 H LIG 1 2.991 -2.853 3.088 0.00 0.00 +0.155 HD BRANCH 27 29 ATOM 29 C LIG 1 4.797 -2.378 2.473 0.00 0.00 +0.220 A ATOM 30 N LIG 1 5.618 -1.770 1.605 0.00 0.00 -0.214 NA ATOM 31 C LIG 1 6.952 -1.872 1.790 0.00 0.00 +0.077 A ATOM 32 C LIG 1 7.478 -2.594 2.841 0.00 0.00 +0.048 A ATOM 33 C LIG 1 6.568 -3.191 3.678 0.00 0.00 +0.116 A ATOM 34 N LIG 1 5.238 -3.097 3.515 0.00 0.00 -0.223 NA BRANCH 31 35 ATOM 35 C LIG 1 7.784 -1.173 0.796 0.00 0.00 +0.019 A ATOM 36 C LIG 1 7.340 -0.986 -0.516 0.00 0.00 +0.120 A ATOM 37 N LIG 1 8.037 -0.360 -1.499 0.00 0.00 -0.263 NA ATOM 38 C LIG 1 9.250 0.121 -1.165 0.00 0.00 +0.111 A ATOM 39 C LIG 1 9.794 0.006 0.101 0.00 0.00 +0.020 A ATOM 40 C LIG 1 9.052 -0.646 1.086 0.00 0.00 +0.013 A ENDBRANCH 31 35 ENDBRANCH 27 29 ENDBRANCH 24 27 ENDBRANCH 2 21 TORSDOF 9