REMARK Name = BDB002218 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.367 0.008 -1.522 0.00 0.00 +0.147 C ATOM 2 C LIG 1 -1.362 -1.006 -1.099 0.00 0.00 +0.026 A ATOM 3 C LIG 1 -1.989 -0.443 -0.034 0.00 0.00 +0.018 A ATOM 4 C LIG 1 -3.009 -1.032 0.705 0.00 0.00 -0.015 A ATOM 5 C LIG 1 -3.391 -2.322 0.279 0.00 0.00 +0.008 A ATOM 6 C LIG 1 -2.746 -2.928 -0.826 0.00 0.00 +0.001 A ATOM 7 C LIG 1 -3.505 -0.251 1.768 0.00 0.00 +0.008 A ATOM 8 C LIG 1 -2.962 1.031 2.017 0.00 0.00 +0.003 A ATOM 9 C LIG 1 -1.925 1.555 1.219 0.00 0.00 +0.028 A ATOM 10 C LIG 1 -1.444 0.787 0.179 0.00 0.00 +0.074 A ATOM 11 C LIG 1 -1.717 -2.269 -1.527 0.00 0.00 +0.012 A ATOM 12 N LIG 1 -0.427 1.071 -0.752 0.00 0.00 -0.230 NA ENDROOT BRANCH 1 13 ATOM 13 N LIG 1 0.478 -0.224 -2.594 0.00 0.00 -0.220 N ATOM 14 H LIG 1 0.102 -0.899 -3.256 0.00 0.00 +0.176 HD BRANCH 13 16 ATOM 15 C LIG 1 2.142 1.362 -2.514 0.00 0.00 +0.139 C ATOM 16 N LIG 1 1.230 0.740 -3.208 0.00 0.00 -0.189 NA BRANCH 15 19 ATOM 17 CL LIG 1 2.620 3.762 -0.628 0.00 0.00 -0.083 Cl ATOM 18 C LIG 1 2.917 2.101 -0.255 0.00 0.00 +0.050 A ATOM 19 C LIG 1 2.654 1.066 -1.159 0.00 0.00 +0.013 A ATOM 20 C LIG 1 2.942 -0.259 -0.803 0.00 0.00 +0.011 A ATOM 21 C LIG 1 3.458 -0.551 0.461 0.00 0.00 +0.001 A ATOM 22 C LIG 1 3.701 0.479 1.368 0.00 0.00 +0.001 A ATOM 23 C LIG 1 3.434 1.802 1.010 0.00 0.00 +0.020 A ENDBRANCH 15 19 ENDBRANCH 13 16 ENDBRANCH 1 13 TORSDOF 3