REMARK Name = LIG001740 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.670 -0.221 0.443 0.00 0.00 +0.219 A ATOM 2 N LIG 1 -3.261 0.906 0.019 0.00 0.00 -0.195 NA ATOM 3 C LIG 1 -2.383 1.782 -0.489 0.00 0.00 +0.167 A ATOM 4 C LIG 1 -1.016 1.619 -0.606 0.00 0.00 +0.148 A ATOM 5 N LIG 1 -0.433 2.735 -1.171 0.00 0.00 -0.231 NA ATOM 6 C LIG 1 -1.435 3.558 -1.397 0.00 0.00 +0.201 A ATOM 7 C LIG 1 -0.483 0.404 -0.143 0.00 0.00 +0.152 A ATOM 8 N LIG 1 -2.636 3.027 -1.000 0.00 0.00 -0.312 N ATOM 9 N LIG 1 -1.349 -0.496 0.397 0.00 0.00 -0.197 NA ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 -3.941 3.664 -1.099 0.00 0.00 +0.084 C ATOM 11 C LIG 1 -4.011 4.939 -0.258 0.00 0.00 +0.030 C ATOM 12 C LIG 1 -4.327 3.934 -2.553 0.00 0.00 +0.030 C ENDBRANCH 8 10 BRANCH 1 13 ATOM 13 N LIG 1 -3.532 -1.150 1.008 0.00 0.00 -0.308 N ATOM 14 H LIG 1 -4.463 -0.837 0.757 0.00 0.00 +0.149 HD BRANCH 13 15 ATOM 15 CA LIG 1 -3.243 -2.568 0.751 0.00 0.00 +0.098 C BRANCH 15 17 ATOM 16 C LIG 1 -5.237 -2.974 -0.790 0.00 0.00 +0.006 C ATOM 17 C LIG 1 -4.567 -3.326 0.533 0.00 0.00 +0.021 C ENDBRANCH 15 17 BRANCH 15 18 ATOM 18 C LIG 1 -2.506 -3.167 1.975 0.00 0.00 +0.178 C BRANCH 18 19 ATOM 19 O LIG 1 -1.156 -2.714 2.067 0.00 0.00 -0.393 OA ATOM 20 H LIG 1 -1.151 -1.810 1.686 0.00 0.00 +0.209 HD ENDBRANCH 18 19 ENDBRANCH 15 18 ENDBRANCH 13 15 ENDBRANCH 1 13 BRANCH 7 21 ATOM 21 N LIG 1 0.881 0.124 -0.246 0.00 0.00 -0.323 N ATOM 22 H LIG 1 1.410 0.982 -0.392 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 1.424 -0.773 0.755 0.00 0.00 +0.138 C BRANCH 23 24 ATOM 24 C LIG 1 2.930 -0.792 0.632 0.00 0.00 -0.030 A ATOM 25 C LIG 1 3.545 -1.450 -0.440 0.00 0.00 +0.006 A ATOM 26 C LIG 1 4.939 -1.459 -0.568 0.00 0.00 +0.012 A ATOM 27 C LIG 1 5.753 -0.807 0.370 0.00 0.00 +0.017 A ATOM 28 C LIG 1 5.129 -0.143 1.437 0.00 0.00 +0.012 A ATOM 29 C LIG 1 3.736 -0.132 1.567 0.00 0.00 +0.006 A BRANCH 27 30 ATOM 30 C LIG 1 7.208 -0.821 0.230 0.00 0.00 +0.135 A ATOM 31 O LIG 1 7.920 -0.157 1.192 0.00 0.00 -0.463 OA ATOM 32 C LIG 1 9.236 -0.285 0.888 0.00 0.00 +0.196 A ATOM 33 C LIG 1 9.394 -1.023 -0.259 0.00 0.00 +0.042 A ATOM 34 C LIG 1 8.088 -1.370 -0.685 0.00 0.00 +0.050 A ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 7 21 TORSDOF 10