REMARK Name = BDB013927 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.183 -0.280 0.310 0.00 0.00 +0.160 C ATOM 2 C LIG 1 1.180 0.168 -0.767 0.00 0.00 +0.240 C ATOM 3 O LIG 1 1.462 1.127 -1.503 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -0.036 -0.505 -0.856 0.00 0.00 -0.265 N ATOM 5 C LIG 1 -0.275 -1.741 -0.179 0.00 0.00 +0.040 A ATOM 6 C LIG 1 -0.007 -1.904 1.194 0.00 0.00 -0.026 A ATOM 7 C LIG 1 -0.269 -3.150 1.799 0.00 0.00 +0.005 A ATOM 8 C LIG 1 -0.773 -4.222 1.064 0.00 0.00 +0.000 A ATOM 9 C LIG 1 -1.024 -4.066 -0.290 0.00 0.00 +0.002 A ATOM 10 C LIG 1 0.406 -0.770 2.103 0.00 0.00 +0.039 C ATOM 11 C LIG 1 -0.782 -2.834 -0.902 0.00 0.00 +0.024 A ATOM 12 C LIG 1 1.602 0.086 1.669 0.00 0.00 +0.036 C ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 4.627 0.113 0.643 0.00 0.00 +0.230 C ATOM 14 N LIG 1 3.427 0.453 0.065 0.00 0.00 -0.303 N ATOM 15 H LIG 1 3.350 1.260 -0.554 0.00 0.00 +0.149 HD ATOM 16 O LIG 1 4.756 -0.854 1.395 0.00 0.00 -0.274 OA BRANCH 13 17 ATOM 17 C LIG 1 5.812 1.024 0.246 0.00 0.00 +0.137 C ATOM 18 C LIG 1 6.657 0.271 -0.781 0.00 0.00 +0.034 C BRANCH 17 20 ATOM 19 C LIG 1 7.731 2.176 1.253 0.00 0.00 +0.101 C ATOM 20 N LIG 1 6.516 1.414 1.480 0.00 0.00 -0.309 NA ATOM 21 H LIG 1 6.719 0.568 2.020 0.00 0.00 +0.122 HD ENDBRANCH 17 20 ENDBRANCH 13 17 ENDBRANCH 1 14 BRANCH 4 22 ATOM 22 C LIG 1 -0.991 -0.041 -1.881 0.00 0.00 +0.153 C BRANCH 22 23 ATOM 23 C LIG 1 -2.424 0.120 -1.374 0.00 0.00 +0.020 A ATOM 24 C LIG 1 -2.741 1.081 -0.352 0.00 0.00 -0.009 A ATOM 25 C LIG 1 -4.071 1.160 0.143 0.00 0.00 -0.005 A ATOM 26 C LIG 1 -4.369 2.091 1.174 0.00 0.00 +0.044 A ATOM 27 C LIG 1 -3.387 2.913 1.733 0.00 0.00 +0.013 A ATOM 28 C LIG 1 -2.098 2.864 1.235 0.00 0.00 +0.001 A ATOM 29 C LIG 1 -5.038 0.289 -0.395 0.00 0.00 +0.013 A ATOM 30 C LIG 1 -4.733 -0.619 -1.407 0.00 0.00 +0.046 A ATOM 31 C LIG 1 -1.789 1.977 0.201 0.00 0.00 +0.009 A ATOM 32 C LIG 1 -3.438 -0.708 -1.908 0.00 0.00 +0.125 A BRANCH 26 33 ATOM 33 C LIG 1 -5.733 2.268 1.721 0.00 0.00 +0.242 C ATOM 34 O LIG 1 -5.986 2.074 2.902 0.00 0.00 -0.270 OA ATOM 35 N LIG 1 -6.674 2.727 0.843 0.00 0.00 -0.325 N ATOM 36 H LIG 1 -6.440 3.033 -0.092 0.00 0.00 +0.145 HD ATOM 37 H LIG 1 -7.582 2.951 1.223 0.00 0.00 +0.145 HD ENDBRANCH 26 33 BRANCH 32 38 ATOM 38 O LIG 1 -3.074 -1.557 -2.923 0.00 0.00 -0.495 OA ATOM 39 C LIG 1 -4.011 -2.562 -3.298 0.00 0.00 +0.277 C ENDBRANCH 32 38 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 7