REMARK Name = BDB015993 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.476 1.872 0.366 0.00 0.00 +0.162 A ATOM 2 N LIG 1 0.449 1.267 -0.260 0.00 0.00 -0.212 NA ATOM 3 C LIG 1 -0.773 1.834 -0.196 0.00 0.00 +0.130 A ATOM 4 C LIG 1 -0.971 3.048 0.465 0.00 0.00 +0.043 A ATOM 5 C LIG 1 0.149 3.585 1.074 0.00 0.00 +0.125 A ATOM 6 N LIG 1 1.373 3.024 1.048 0.00 0.00 -0.235 NA ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 4.213 -0.678 -0.399 0.00 0.00 -0.014 A ATOM 8 C LIG 1 2.969 -0.030 -0.339 0.00 0.00 +0.020 A ATOM 9 C LIG 1 2.798 1.214 0.307 0.00 0.00 +0.020 A ATOM 10 C LIG 1 3.937 1.793 0.895 0.00 0.00 +0.011 A ATOM 11 C LIG 1 5.183 1.165 0.841 0.00 0.00 +0.001 A ATOM 12 C LIG 1 5.319 -0.064 0.198 0.00 0.00 +0.008 A BRANCH 7 17 ATOM 13 C LIG 1 5.733 -5.221 -1.721 0.00 0.00 +0.172 C ATOM 14 N LIG 1 5.017 -3.971 -1.641 0.00 0.00 -0.274 N ATOM 15 N LIG 1 3.977 -3.751 -2.464 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 3.564 -2.528 -2.121 0.00 0.00 +0.142 A ATOM 17 C LIG 1 4.333 -1.959 -1.077 0.00 0.00 +0.020 A ATOM 18 C LIG 1 5.268 -2.933 -0.790 0.00 0.00 +0.116 A ENDBRANCH 7 17 ENDBRANCH 1 9 BRANCH 4 19 ATOM 19 C LIG 1 -2.240 3.741 0.559 0.00 0.00 +0.024 A ATOM 20 C LIG 1 -3.071 4.028 -0.504 0.00 0.00 +0.116 A ATOM 21 N LIG 1 -4.131 4.712 0.013 0.00 0.00 -0.274 N ATOM 22 C LIG 1 -5.271 5.223 -0.708 0.00 0.00 +0.172 C ATOM 23 N LIG 1 -4.044 4.909 1.341 0.00 0.00 -0.179 NA ATOM 24 C LIG 1 -2.891 4.320 1.671 0.00 0.00 +0.143 A ENDBRANCH 4 19 BRANCH 3 25 ATOM 25 N LIG 1 -1.841 1.198 -0.848 0.00 0.00 -0.328 N ATOM 26 H LIG 1 -2.677 1.239 -0.271 0.00 0.00 +0.147 HD BRANCH 25 27 ATOM 27 C LIG 1 -1.617 -0.111 -1.456 0.00 0.00 +0.106 C BRANCH 27 28 ATOM 28 C LIG 1 -1.989 -1.304 -0.551 0.00 0.00 +0.006 C ATOM 29 C LIG 1 -3.490 -1.343 -0.215 0.00 0.00 +0.007 C ATOM 30 C LIG 1 -3.847 -2.578 0.616 0.00 0.00 +0.031 C ATOM 31 C LIG 1 -2.995 -2.686 1.880 0.00 0.00 +0.115 C ATOM 32 C LIG 1 -1.503 -2.631 1.554 0.00 0.00 +0.031 C ATOM 33 C LIG 1 -1.140 -1.396 0.726 0.00 0.00 +0.007 C BRANCH 31 34 ATOM 34 O LIG 1 -3.340 -1.612 2.753 0.00 0.00 -0.392 OA ATOM 35 H LIG 1 -2.789 -1.695 3.550 0.00 0.00 +0.210 HD ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 3 25 TORSDOF 7