REMARK Name = BDB022393 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.768 -2.935 -1.740 0.00 0.00 -0.035 A ATOM 2 C LIG 1 1.632 -2.277 -1.229 0.00 0.00 +0.013 A ATOM 3 C LIG 1 0.328 -2.705 -1.532 0.00 0.00 -0.018 A ATOM 4 C LIG 1 0.176 -3.819 -2.369 0.00 0.00 +0.008 A ATOM 5 C LIG 1 1.289 -4.475 -2.897 0.00 0.00 +0.001 A ATOM 6 C LIG 1 2.575 -4.032 -2.590 0.00 0.00 +0.004 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -0.844 -1.997 -0.994 0.00 0.00 -0.018 A ATOM 8 C LIG 1 -1.026 -0.625 -1.220 0.00 0.00 +0.010 A ATOM 9 C LIG 1 -2.143 0.054 -0.716 0.00 0.00 +0.024 A ATOM 10 C LIG 1 -3.105 -0.624 0.031 0.00 0.00 +0.034 A ATOM 11 C LIG 1 -2.933 -1.993 0.264 0.00 0.00 +0.024 A ATOM 12 C LIG 1 -1.817 -2.670 -0.243 0.00 0.00 +0.010 A BRANCH 10 13 ATOM 13 N LIG 1 -4.260 -0.018 0.565 0.00 0.00 -0.282 N ATOM 14 H LIG 1 -4.874 -0.625 1.090 0.00 0.00 +0.155 HD ATOM 15 C LIG 1 -4.616 1.310 0.499 0.00 0.00 +0.241 C ATOM 16 O LIG 1 -3.966 2.238 0.036 0.00 0.00 -0.271 OA BRANCH 15 17 ATOM 17 C LIG 1 -5.928 1.609 1.135 0.00 0.00 +0.064 C ATOM 18 C LIG 1 -7.016 0.830 1.019 0.00 0.00 -0.007 C BRANCH 18 19 ATOM 19 C LIG 1 -8.379 1.107 1.600 0.00 0.00 +0.111 C BRANCH 19 20 ATOM 20 N LIG 1 -8.574 2.465 2.120 0.00 0.00 -0.305 NA ATOM 21 C LIG 1 -9.694 2.494 3.065 0.00 0.00 +0.104 C ATOM 22 C LIG 1 -8.833 3.416 1.033 0.00 0.00 +0.104 C ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 15 17 ENDBRANCH 10 13 ENDBRANCH 3 7 BRANCH 1 24 ATOM 23 C LIG 1 5.166 -3.522 -1.094 0.00 0.00 +0.022 C ATOM 24 C LIG 1 4.159 -2.406 -1.384 0.00 0.00 +0.102 C BRANCH 24 25 ATOM 25 C LIG 1 4.715 -1.487 -2.477 0.00 0.00 +0.225 C ATOM 26 N LIG 1 5.532 -0.432 -2.194 0.00 0.00 -0.268 N ATOM 27 H LIG 1 5.790 0.093 -3.017 0.00 0.00 +0.156 HD ATOM 28 O LIG 1 4.469 -1.680 -3.675 0.00 0.00 -0.275 OA BRANCH 26 29 ATOM 29 C LIG 1 6.050 0.010 -1.001 0.00 0.00 +0.147 A ATOM 30 N LIG 1 5.892 -0.574 0.188 0.00 0.00 -0.158 NA ATOM 31 N LIG 1 6.589 0.196 1.041 0.00 0.00 -0.280 N ATOM 32 H LIG 1 6.616 -0.064 2.021 0.00 0.00 +0.189 HD ATOM 33 C LIG 1 7.177 1.263 0.438 0.00 0.00 +0.041 A ATOM 34 C LIG 1 6.856 1.172 -0.893 0.00 0.00 +0.068 A BRANCH 33 35 ATOM 35 C LIG 1 8.048 2.352 1.098 0.00 0.00 +0.037 C ATOM 36 C LIG 1 7.399 3.673 1.415 0.00 0.00 +0.010 C ATOM 37 C LIG 1 7.808 2.750 2.529 0.00 0.00 +0.010 C ENDBRANCH 33 35 ENDBRANCH 26 29 ENDBRANCH 24 25 ENDBRANCH 1 24 TORSDOF 9