REMARK Name = LIG001711 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.187 1.089 2.763 0.00 0.00 +0.032 A ATOM 2 C LIG 1 -2.504 0.717 1.605 0.00 0.00 +0.023 A ATOM 3 C LIG 1 -1.642 -0.390 1.586 0.00 0.00 +0.006 A ATOM 4 C LIG 1 -1.432 -1.166 2.732 0.00 0.00 -0.044 A ATOM 5 C LIG 1 -2.128 -0.792 3.893 0.00 0.00 +0.006 A ATOM 6 C LIG 1 -2.976 0.322 3.913 0.00 0.00 +0.023 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -0.552 -2.416 2.763 0.00 0.00 +0.021 C ATOM 8 C LIG 1 0.531 -2.356 3.861 0.00 0.00 +0.023 C ATOM 9 C LIG 1 1.754 -1.546 3.425 0.00 0.00 +0.085 C ATOM 10 N LIG 1 2.374 -2.047 2.184 0.00 0.00 -0.302 NA ATOM 11 C LIG 1 1.375 -2.035 1.111 0.00 0.00 +0.085 C ATOM 12 C LIG 1 0.107 -2.837 1.430 0.00 0.00 +0.023 C BRANCH 10 13 ATOM 13 C LIG 1 3.068 -3.328 2.397 0.00 0.00 +0.089 C BRANCH 13 14 ATOM 14 C LIG 1 4.140 -3.730 1.370 0.00 0.00 +0.022 C ATOM 15 C LIG 1 5.090 -2.599 0.963 0.00 0.00 +0.110 C ATOM 16 N LIG 1 5.516 -2.971 -0.394 0.00 0.00 -0.330 N ATOM 17 C LIG 1 4.389 -3.630 -1.057 0.00 0.00 +0.105 C ATOM 18 C LIG 1 3.647 -4.355 0.063 0.00 0.00 +0.025 C BRANCH 16 19 ATOM 19 C LIG 1 6.370 -2.129 -1.103 0.00 0.00 +0.030 A ATOM 20 C LIG 1 7.276 -1.283 -0.435 0.00 0.00 +0.037 A ATOM 21 C LIG 1 8.132 -0.491 -1.180 0.00 0.00 +0.051 A ATOM 22 C LIG 1 9.157 0.455 -0.748 0.00 0.00 +0.255 C ATOM 23 N LIG 1 9.739 0.948 -1.884 0.00 0.00 -0.222 N ATOM 24 C LIG 1 9.152 0.438 -3.009 0.00 0.00 +0.254 C ATOM 25 O LIG 1 9.405 0.673 -4.176 0.00 0.00 -0.270 OA ATOM 26 O LIG 1 9.401 0.723 0.413 0.00 0.00 -0.270 OA ATOM 27 C LIG 1 8.131 -0.503 -2.557 0.00 0.00 +0.050 A ATOM 28 C LIG 1 7.282 -1.320 -3.266 0.00 0.00 +0.015 A ATOM 29 C LIG 1 6.413 -2.136 -2.525 0.00 0.00 +0.024 A BRANCH 23 30 ATOM 30 C LIG 1 10.750 1.993 -1.914 0.00 0.00 +0.171 C ATOM 31 C LIG 1 10.114 3.329 -1.518 0.00 0.00 +0.240 C ATOM 32 O LIG 1 8.919 3.587 -1.654 0.00 0.00 -0.273 OA ATOM 33 N LIG 1 10.983 4.292 -1.053 0.00 0.00 -0.255 N ATOM 34 H LIG 1 10.561 5.172 -0.790 0.00 0.00 +0.158 HD ATOM 35 C LIG 1 12.322 4.159 -0.779 0.00 0.00 +0.219 C ATOM 36 O LIG 1 12.968 5.088 -0.302 0.00 0.00 -0.275 OA ATOM 37 C LIG 1 12.960 2.844 -1.159 0.00 0.00 +0.098 C ATOM 38 C LIG 1 11.968 1.698 -1.042 0.00 0.00 +0.041 C ENDBRANCH 23 30 ENDBRANCH 16 19 ENDBRANCH 13 14 ENDBRANCH 10 13 ENDBRANCH 4 7 BRANCH 1 39 ATOM 39 N LIG 1 -4.078 2.174 2.812 0.00 0.00 -0.298 N ATOM 40 H LIG 1 -4.397 2.414 3.753 0.00 0.00 +0.154 HD BRANCH 39 43 ATOM 41 C LIG 1 -5.857 2.546 -0.337 0.00 0.00 +0.142 A ATOM 42 N LIG 1 -5.025 2.057 0.610 0.00 0.00 -0.213 NA ATOM 43 C LIG 1 -4.953 2.673 1.821 0.00 0.00 +0.156 A ATOM 44 C LIG 1 -5.724 3.826 2.045 0.00 0.00 +0.165 A ATOM 45 N LIG 1 -6.548 4.382 1.107 0.00 0.00 -0.244 NA ATOM 46 C LIG 1 -6.583 3.712 -0.068 0.00 0.00 +0.155 A BRANCH 41 49 ATOM 47 C LIG 1 -7.523 0.004 -2.177 0.00 0.00 +0.095 C ATOM 48 C LIG 1 -7.336 1.536 -1.992 0.00 0.00 +0.129 C ATOM 49 N LIG 1 -5.965 1.897 -1.569 0.00 0.00 -0.312 N ATOM 50 C LIG 1 -4.926 0.909 -1.873 0.00 0.00 +0.106 C ATOM 51 C LIG 1 -5.214 -0.452 -1.237 0.00 0.00 +0.021 C ATOM 52 C LIG 1 -6.706 -0.772 -1.140 0.00 0.00 +0.025 C BRANCH 47 57 ATOM 53 C LIG 1 -12.201 -0.328 -3.746 0.00 0.00 +0.133 C ATOM 54 N LIG 1 -11.096 -0.254 -2.823 0.00 0.00 -0.287 N ATOM 55 C LIG 1 -9.783 -0.028 -3.248 0.00 0.00 +0.305 C ATOM 56 O LIG 1 -9.432 0.406 -4.333 0.00 0.00 -0.252 OA ATOM 57 N LIG 1 -8.934 -0.384 -2.190 0.00 0.00 -0.279 N ATOM 58 C LIG 1 -9.718 -0.651 -0.999 0.00 0.00 +0.128 C ATOM 59 C LIG 1 -11.097 -0.961 -1.563 0.00 0.00 +0.128 C ENDBRANCH 47 57 ENDBRANCH 41 49 BRANCH 44 60 ATOM 60 C LIG 1 -5.742 4.497 3.382 0.00 0.00 +0.263 C ATOM 61 O LIG 1 -5.260 3.990 4.389 0.00 0.00 -0.269 OA ATOM 62 N LIG 1 -6.369 5.714 3.424 0.00 0.00 -0.324 N ATOM 63 H LIG 1 -6.473 6.195 4.306 0.00 0.00 +0.145 HD ATOM 64 H LIG 1 -6.837 6.064 2.594 0.00 0.00 +0.145 HD ENDBRANCH 44 60 ENDBRANCH 39 43 ENDBRANCH 1 39 TORSDOF 10