REMARK Name = BDB062481 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.388 1.305 1.201 0.00 0.00 -0.295 NA ATOM 2 C LIG 1 -0.636 1.665 -0.215 0.00 0.00 +0.108 C ATOM 3 C LIG 1 -1.539 2.823 0.232 0.00 0.00 +0.098 C ATOM 4 C LIG 1 -1.388 2.292 1.665 0.00 0.00 +0.108 C ENDROOT BRANCH 3 5 ATOM 5 N LIG 1 -2.869 2.870 -0.314 0.00 0.00 -0.337 N ATOM 6 H LIG 1 -3.232 3.820 -0.357 0.00 0.00 +0.146 HD BRANCH 5 7 ATOM 7 C LIG 1 -3.912 1.921 -0.339 0.00 0.00 +0.046 A ATOM 8 C LIG 1 -3.806 0.586 0.054 0.00 0.00 +0.134 A ATOM 9 N LIG 1 -4.803 -0.335 -0.022 0.00 0.00 -0.249 NA ATOM 10 C LIG 1 -5.980 0.094 -0.550 0.00 0.00 +0.125 A ATOM 11 C LIG 1 -6.192 1.388 -0.997 0.00 0.00 +0.035 A ATOM 12 C LIG 1 -5.141 2.299 -0.896 0.00 0.00 +0.027 A BRANCH 10 13 ATOM 13 C LIG 1 -7.082 -0.919 -0.634 0.00 0.00 +0.262 C ATOM 14 N LIG 1 -6.724 -2.179 -0.204 0.00 0.00 -0.313 N ATOM 15 H LIG 1 -5.795 -2.262 0.202 0.00 0.00 +0.149 HD ATOM 16 C LIG 1 -7.670 -3.255 -0.090 0.00 0.00 +0.128 C ATOM 17 O LIG 1 -8.197 -0.620 -1.045 0.00 0.00 -0.269 OA ENDBRANCH 10 13 ENDBRANCH 5 7 ENDBRANCH 3 5 BRANCH 1 18 ATOM 18 C LIG 1 0.960 1.712 1.622 0.00 0.00 +0.121 C BRANCH 18 28 ATOM 19 C LIG 1 5.961 -1.702 -0.789 0.00 0.00 +0.019 A ATOM 20 C LIG 1 6.095 -0.282 -1.253 0.00 0.00 +0.252 A ATOM 21 O LIG 1 7.022 0.084 -1.968 0.00 0.00 -0.268 OA ATOM 22 N LIG 1 5.130 0.603 -0.844 0.00 0.00 -0.321 N ATOM 23 H LIG 1 5.239 1.555 -1.165 0.00 0.00 +0.169 HD ATOM 24 C LIG 1 4.045 0.236 -0.040 0.00 0.00 +0.068 A ATOM 25 C LIG 1 3.910 -1.085 0.383 0.00 0.00 +0.088 A ATOM 26 N LIG 1 2.897 -1.524 1.157 0.00 0.00 -0.253 NA ATOM 27 C LIG 1 1.976 -0.599 1.519 0.00 0.00 +0.116 A ATOM 28 C LIG 1 2.021 0.747 1.151 0.00 0.00 -0.013 A ATOM 29 C LIG 1 3.090 1.167 0.350 0.00 0.00 +0.034 A ATOM 30 C LIG 1 4.913 -2.062 -0.026 0.00 0.00 +0.038 A BRANCH 19 32 ATOM 31 C LIG 1 8.300 -2.554 -0.448 0.00 0.00 +0.009 C ATOM 32 C LIG 1 7.009 -2.678 -1.246 0.00 0.00 +0.037 C ENDBRANCH 19 32 ENDBRANCH 18 28 ENDBRANCH 1 18 TORSDOF 6