REMARK Name = BDB005104 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.405 0.629 -1.028 0.00 0.00 +0.034 A ATOM 2 C LIG 1 0.354 -0.290 -1.003 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -0.977 0.132 -0.831 0.00 0.00 -0.028 A ATOM 4 C LIG 1 -1.241 1.500 -0.683 0.00 0.00 +0.005 A ATOM 5 C LIG 1 -0.199 2.424 -0.705 0.00 0.00 +0.002 A ATOM 6 C LIG 1 1.117 1.990 -0.875 0.00 0.00 +0.023 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 3.274 -0.992 -1.421 0.00 0.00 +0.248 C ATOM 8 N LIG 1 2.761 0.271 -1.185 0.00 0.00 -0.281 N ATOM 9 H LIG 1 3.417 1.040 -1.188 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 2.639 -2.024 -1.606 0.00 0.00 -0.270 OA BRANCH 7 14 ATOM 11 C LIG 1 7.557 -1.240 -1.657 0.00 0.00 +0.120 A ATOM 12 C LIG 1 6.966 -0.385 -0.726 0.00 0.00 +0.046 A ATOM 13 C LIG 1 5.571 -0.295 -0.637 0.00 0.00 +0.016 A ATOM 14 C LIG 1 4.761 -1.058 -1.488 0.00 0.00 +0.037 A ATOM 15 C LIG 1 5.352 -1.929 -2.407 0.00 0.00 +0.016 A ATOM 16 C LIG 1 6.744 -2.011 -2.493 0.00 0.00 +0.046 A BRANCH 11 18 ATOM 17 C LIG 1 9.775 -0.680 -1.004 0.00 0.00 +0.277 C ATOM 18 O LIG 1 8.899 -1.419 -1.847 0.00 0.00 -0.495 OA ENDBRANCH 11 18 ENDBRANCH 7 14 ENDBRANCH 1 8 BRANCH 3 19 ATOM 19 C LIG 1 -2.103 -0.883 -0.808 0.00 0.00 +0.141 C BRANCH 19 20 ATOM 20 N LIG 1 -2.497 -1.348 0.536 0.00 0.00 -0.313 N ATOM 21 C LIG 1 -1.434 -1.984 1.316 0.00 0.00 +0.131 C BRANCH 20 22 ATOM 22 C LIG 1 -3.239 -0.400 1.274 0.00 0.00 +0.132 A ATOM 23 C LIG 1 -4.598 -0.159 0.969 0.00 0.00 +0.041 A ATOM 24 C LIG 1 -5.239 0.863 1.696 0.00 0.00 +0.088 A ATOM 25 C LIG 1 -6.590 1.134 1.391 0.00 0.00 +0.063 A ATOM 26 C LIG 1 -7.285 0.393 0.414 0.00 0.00 +0.015 A ATOM 27 C LIG 1 -6.656 -0.633 -0.271 0.00 0.00 +0.002 A ATOM 28 N LIG 1 -4.571 1.544 2.655 0.00 0.00 -0.235 NA ATOM 29 C LIG 1 -3.303 1.196 2.901 0.00 0.00 +0.223 A ATOM 30 C LIG 1 -5.325 -0.907 0.009 0.00 0.00 +0.013 A ATOM 31 N LIG 1 -2.610 0.256 2.265 0.00 0.00 -0.220 NA BRANCH 25 32 ATOM 32 C LIG 1 -7.387 2.205 2.069 0.00 0.00 +0.244 C ATOM 33 O LIG 1 -8.570 2.393 1.804 0.00 0.00 -0.270 OA ATOM 34 N LIG 1 -6.769 2.986 3.000 0.00 0.00 -0.325 N ATOM 35 H LIG 1 -5.807 2.804 3.273 0.00 0.00 +0.145 HD ATOM 36 H LIG 1 -7.311 3.677 3.497 0.00 0.00 +0.145 HD ENDBRANCH 25 32 ENDBRANCH 20 22 ENDBRANCH 19 20 ENDBRANCH 3 19 TORSDOF 7