REMARK Name = LIG000665 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.715 1.653 -0.065 0.00 0.00 +0.147 A ATOM 2 C LIG 1 -2.170 2.823 0.446 0.00 0.00 +0.099 A ATOM 3 CL LIG 1 -2.831 4.382 0.162 0.00 0.00 -0.078 Cl ATOM 4 C LIG 1 -1.046 2.672 1.221 0.00 0.00 +0.137 A ATOM 5 N LIG 1 -0.478 1.480 1.490 0.00 0.00 -0.221 NA ATOM 6 C LIG 1 -1.066 0.400 0.965 0.00 0.00 +0.217 A ATOM 7 N LIG 1 -2.156 0.449 0.192 0.00 0.00 -0.198 NA ENDROOT BRANCH 1 8 ATOM 8 N LIG 1 -3.859 1.720 -0.898 0.00 0.00 -0.297 N ATOM 9 H LIG 1 -4.530 2.412 -0.545 0.00 0.00 +0.154 HD BRANCH 8 11 ATOM 10 C LIG 1 -5.831 0.375 -1.562 0.00 0.00 +0.110 A ATOM 11 C LIG 1 -4.456 0.665 -1.619 0.00 0.00 +0.058 A ATOM 12 C LIG 1 -3.654 -0.162 -2.425 0.00 0.00 +0.025 A ATOM 13 C LIG 1 -4.203 -1.197 -3.187 0.00 0.00 +0.002 A ATOM 14 C LIG 1 -5.574 -1.431 -3.160 0.00 0.00 +0.002 A ATOM 15 C LIG 1 -6.390 -0.644 -2.352 0.00 0.00 +0.029 A BRANCH 10 16 ATOM 16 S LIG 1 -6.934 1.296 -0.511 0.00 0.00 +0.001 S ATOM 17 O LIG 1 -6.281 2.559 -0.199 0.00 0.00 -0.169 OA ATOM 18 O LIG 1 -8.234 1.309 -1.157 0.00 0.00 -0.169 OA BRANCH 16 20 ATOM 19 C LIG 1 -5.736 0.214 1.733 0.00 0.00 +0.032 C ATOM 20 C LIG 1 -7.072 0.359 1.014 0.00 0.00 +0.130 C ATOM 21 C LIG 1 -7.731 -1.001 0.811 0.00 0.00 +0.032 C ENDBRANCH 16 20 ENDBRANCH 10 16 ENDBRANCH 8 11 ENDBRANCH 1 8 BRANCH 6 22 ATOM 22 N LIG 1 -0.565 -0.866 1.195 0.00 0.00 -0.309 N ATOM 23 H LIG 1 -1.007 -1.467 0.505 0.00 0.00 +0.149 HD BRANCH 22 24 ATOM 24 C LIG 1 0.881 -1.054 1.325 0.00 0.00 +0.090 C ATOM 25 C LIG 1 1.694 -0.473 0.150 0.00 0.00 +0.130 C ATOM 26 N LIG 1 3.130 -0.670 0.347 0.00 0.00 -0.296 N ATOM 27 C LIG 1 3.901 -1.120 -0.722 0.00 0.00 +0.247 C ATOM 28 O LIG 1 3.450 -1.400 -1.828 0.00 0.00 -0.270 OA ATOM 29 C LIG 1 3.682 -0.306 1.654 0.00 0.00 +0.108 C ATOM 30 C LIG 1 2.641 0.285 2.602 0.00 0.00 +0.021 C ATOM 31 C LIG 1 1.406 -0.609 2.705 0.00 0.00 +0.025 C BRANCH 27 32 ATOM 32 C LIG 1 5.352 -1.292 -0.501 0.00 0.00 +0.045 A ATOM 33 C LIG 1 6.264 -0.248 -0.788 0.00 0.00 -0.006 A ATOM 34 C LIG 1 7.636 -0.483 -0.531 0.00 0.00 -0.017 A ATOM 35 C LIG 1 8.575 0.530 -0.790 0.00 0.00 +0.008 A ATOM 36 C LIG 1 8.176 1.765 -1.300 0.00 0.00 +0.001 A ATOM 37 C LIG 1 6.833 2.005 -1.563 0.00 0.00 +0.001 A ATOM 38 C LIG 1 8.049 -1.728 -0.024 0.00 0.00 +0.008 A ATOM 39 C LIG 1 7.130 -2.747 0.231 0.00 0.00 +0.001 A ATOM 40 C LIG 1 5.887 1.011 -1.311 0.00 0.00 +0.009 A ATOM 41 C LIG 1 5.779 -2.532 -0.010 0.00 0.00 +0.014 A ENDBRANCH 27 32 ENDBRANCH 22 24 ENDBRANCH 6 22 TORSDOF 7