REMARK Name = BDB065303 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.682 -0.172 -0.069 0.00 0.00 +0.015 A ATOM 2 C LIG 1 -0.726 0.849 -0.127 0.00 0.00 +0.019 A ATOM 3 C LIG 1 0.642 0.559 0.021 0.00 0.00 -0.017 A ATOM 4 C LIG 1 1.051 -0.779 0.236 0.00 0.00 -0.014 A ATOM 5 C LIG 1 2.417 -1.069 0.384 0.00 0.00 +0.054 A ATOM 6 C LIG 1 3.358 -0.045 0.319 0.00 0.00 +0.117 A ATOM 7 C LIG 1 2.967 1.270 0.111 0.00 0.00 +0.046 A ATOM 8 C LIG 1 0.080 -1.791 0.304 0.00 0.00 +0.009 A ATOM 9 C LIG 1 1.613 1.573 -0.036 0.00 0.00 +0.012 A ATOM 10 C LIG 1 -1.275 -1.489 0.157 0.00 0.00 +0.012 A ENDROOT BRANCH 1 13 ATOM 11 N LIG 1 -4.015 -0.718 0.185 0.00 0.00 -0.285 NA ATOM 12 H LIG 1 -4.955 -0.352 0.029 0.00 0.00 +0.188 HD ATOM 13 C LIG 1 -3.136 0.131 -0.237 0.00 0.00 +0.116 C BRANCH 13 14 ATOM 14 N LIG 1 -3.542 1.284 -0.845 0.00 0.00 -0.343 N ATOM 15 H LIG 1 -4.492 1.279 -1.197 0.00 0.00 +0.144 HD ATOM 16 H LIG 1 -2.900 1.667 -1.532 0.00 0.00 +0.144 HD ENDBRANCH 13 14 ENDBRANCH 1 13 BRANCH 6 17 ATOM 17 O LIG 1 4.692 -0.294 0.458 0.00 0.00 -0.507 OA ATOM 18 H LIG 1 4.817 -1.245 0.610 0.00 0.00 +0.292 HD ENDBRANCH 6 17 TORSDOF 3