REMARK Name = BDB018835 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.435 -0.557 0.965 0.00 0.00 +0.241 C ATOM 2 N LIG 1 -1.041 -0.628 0.978 0.00 0.00 -0.270 N ATOM 3 C LIG 1 -0.183 -0.641 -0.166 0.00 0.00 +0.040 A ATOM 4 C LIG 1 1.201 -0.383 -0.010 0.00 0.00 -0.018 A ATOM 5 C LIG 1 2.058 -0.402 -1.143 0.00 0.00 -0.013 A ATOM 6 C LIG 1 1.518 -0.697 -2.405 0.00 0.00 +0.009 A ATOM 7 C LIG 1 0.170 -1.001 -2.548 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.798 -0.152 1.366 0.00 0.00 +0.039 C ATOM 9 C LIG 1 0.759 0.068 2.454 0.00 0.00 +0.024 C ATOM 10 C LIG 1 -0.668 -0.988 -1.435 0.00 0.00 +0.024 A ATOM 11 C LIG 1 -0.396 -0.893 2.261 0.00 0.00 +0.114 C ATOM 12 O LIG 1 -3.117 -1.122 1.828 0.00 0.00 -0.273 OA ENDROOT BRANCH 5 13 ATOM 13 C LIG 1 3.502 -0.142 -1.046 0.00 0.00 -0.018 A ATOM 14 C LIG 1 4.399 -1.182 -0.761 0.00 0.00 +0.008 A ATOM 15 C LIG 1 5.771 -0.935 -0.672 0.00 0.00 +0.001 A ATOM 16 C LIG 1 6.262 0.354 -0.870 0.00 0.00 +0.000 A ATOM 17 C LIG 1 5.383 1.396 -1.159 0.00 0.00 +0.001 A ATOM 18 C LIG 1 4.011 1.149 -1.248 0.00 0.00 +0.008 A ENDBRANCH 5 13 BRANCH 1 20 ATOM 19 N LIG 1 -4.418 -0.038 -0.525 0.00 0.00 -0.258 N ATOM 20 C LIG 1 -3.090 0.433 -0.023 0.00 0.00 +0.170 C ATOM 21 C LIG 1 -3.410 1.748 0.697 0.00 0.00 +0.034 C ATOM 22 C LIG 1 -4.801 1.516 1.260 0.00 0.00 +0.022 C ATOM 23 C LIG 1 -5.497 0.703 0.179 0.00 0.00 +0.117 C BRANCH 19 25 ATOM 24 N LIG 1 -4.738 -2.147 -1.818 0.00 0.00 -0.174 NA ATOM 25 C LIG 1 -4.605 -1.174 -1.206 0.00 0.00 +0.170 C ENDBRANCH 19 25 ENDBRANCH 1 20 TORSDOF 3