REMARK Name = LIG001390 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.786 -0.645 2.604 0.00 0.00 +0.175 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.639 -1.288 1.495 0.00 0.00 +0.112 C BRANCH 2 6 ATOM 3 N LIG 1 -4.893 -1.666 0.492 0.00 0.00 -0.326 N ATOM 4 C LIG 1 -5.054 -1.901 1.936 0.00 0.00 +0.120 C ATOM 5 C LIG 1 -3.690 -1.856 2.682 0.00 0.00 +0.103 C ATOM 6 N LIG 1 -2.497 -2.393 1.974 0.00 0.00 -0.297 NA ATOM 7 C LIG 1 -2.953 -3.226 0.839 0.00 0.00 +0.103 C ATOM 8 C LIG 1 -3.872 -2.500 -0.173 0.00 0.00 +0.120 C BRANCH 3 12 ATOM 9 C LIG 1 -7.951 0.154 -1.765 0.00 0.00 +0.125 A ATOM 10 N LIG 1 -8.155 -0.113 -0.466 0.00 0.00 -0.238 NA ATOM 11 C LIG 1 -7.156 -0.721 0.230 0.00 0.00 +0.136 A ATOM 12 C LIG 1 -5.911 -1.109 -0.273 0.00 0.00 +0.048 A ATOM 13 C LIG 1 -5.752 -0.836 -1.635 0.00 0.00 +0.028 A ATOM 14 C LIG 1 -6.761 -0.216 -2.381 0.00 0.00 +0.045 A BRANCH 9 15 ATOM 15 N LIG 1 -8.915 0.821 -2.542 0.00 0.00 -0.268 N ATOM 16 H LIG 1 -8.508 1.608 -3.030 0.00 0.00 +0.156 HD BRANCH 15 25 ATOM 17 C LIG 1 -14.639 1.897 -0.015 0.00 0.00 +0.085 A ATOM 18 C LIG 1 -14.131 0.568 0.442 0.00 0.00 +0.264 A ATOM 19 O LIG 1 -14.804 -0.073 1.248 0.00 0.00 -0.267 OA ATOM 20 N LIG 1 -12.927 0.119 -0.079 0.00 0.00 -0.289 N ATOM 21 C LIG 1 -12.137 0.939 -0.932 0.00 0.00 +0.149 A ATOM 22 C LIG 1 -12.621 2.177 -1.319 0.00 0.00 +0.040 A ATOM 23 C LIG 1 -11.760 2.889 -2.134 0.00 0.00 +0.126 A ATOM 24 N LIG 1 -10.552 2.450 -2.543 0.00 0.00 -0.222 NA ATOM 25 C LIG 1 -10.165 1.248 -2.100 0.00 0.00 +0.222 A ATOM 26 N LIG 1 -10.938 0.474 -1.332 0.00 0.00 -0.196 NA ATOM 27 C LIG 1 -13.942 2.664 -0.881 0.00 0.00 -0.023 A ATOM 28 C LIG 1 -14.427 3.977 -1.443 0.00 0.00 +0.045 C BRANCH 20 29 ATOM 29 C LIG 1 -12.380 -1.188 0.327 0.00 0.00 +0.092 C ATOM 30 C LIG 1 -13.343 -2.377 0.108 0.00 0.00 +0.025 C ATOM 31 C LIG 1 -13.481 -3.059 1.466 0.00 0.00 +0.002 C ATOM 32 C LIG 1 -12.199 -2.700 2.199 0.00 0.00 +0.002 C ATOM 33 C LIG 1 -11.970 -1.247 1.808 0.00 0.00 +0.025 C ENDBRANCH 20 29 BRANCH 17 35 ATOM 34 C LIG 1 -17.137 1.439 0.412 0.00 0.00 +0.092 C ATOM 35 C LIG 1 -15.956 2.370 0.511 0.00 0.00 +0.166 C ATOM 36 O LIG 1 -16.072 3.497 0.994 0.00 0.00 -0.292 OA ENDBRANCH 17 35 ENDBRANCH 15 25 ENDBRANCH 9 15 ENDBRANCH 3 12 ENDBRANCH 2 6 ENDBRANCH 1 2 BRANCH 1 37 ATOM 37 O LIG 1 -0.340 0.666 2.248 0.00 0.00 -0.375 OA BRANCH 37 38 ATOM 38 C LIG 1 0.811 0.712 1.404 0.00 0.00 +0.200 C BRANCH 38 39 ATOM 39 C LIG 1 0.439 0.838 -0.076 0.00 0.00 +0.257 C BRANCH 39 40 ATOM 40 O LIG 1 1.553 1.219 -0.884 0.00 0.00 -0.490 OA BRANCH 40 41 ATOM 41 C LIG 1 2.535 0.300 -1.121 0.00 0.00 +0.121 A ATOM 42 C LIG 1 3.738 0.843 -1.581 0.00 0.00 +0.050 A ATOM 43 C LIG 1 4.855 0.030 -1.835 0.00 0.00 -0.030 A ATOM 44 C LIG 1 4.733 -1.354 -1.657 0.00 0.00 +0.005 A ATOM 45 C LIG 1 3.528 -1.903 -1.219 0.00 0.00 +0.004 A ATOM 46 C LIG 1 2.430 -1.080 -0.952 0.00 0.00 +0.045 A BRANCH 43 47 ATOM 47 C LIG 1 6.157 0.636 -2.319 0.00 0.00 +0.119 C BRANCH 47 48 ATOM 48 N LIG 1 6.624 1.760 -1.488 0.00 0.00 -0.298 NA ATOM 49 C LIG 1 7.700 2.516 -2.143 0.00 0.00 +0.085 C ATOM 50 C LIG 1 9.054 1.801 -2.144 0.00 0.00 +0.023 C ATOM 51 C LIG 1 9.458 1.403 -0.716 0.00 0.00 +0.021 C ATOM 52 C LIG 1 8.333 0.605 -0.044 0.00 0.00 +0.023 C ATOM 53 C LIG 1 7.008 1.366 -0.125 0.00 0.00 +0.085 C BRANCH 51 54 ATOM 54 C LIG 1 10.784 0.659 -0.669 0.00 0.00 -0.044 A ATOM 55 C LIG 1 11.842 1.188 0.096 0.00 0.00 +0.009 A ATOM 56 C LIG 1 13.045 0.503 0.137 0.00 0.00 -0.018 A ATOM 57 C LIG 1 14.312 0.844 0.846 0.00 0.00 +0.144 C ATOM 58 N LIG 1 15.158 -0.307 0.557 0.00 0.00 -0.282 N ATOM 59 C LIG 1 14.562 -1.181 -0.340 0.00 0.00 +0.248 C ATOM 60 O LIG 1 15.043 -2.173 -0.852 0.00 0.00 -0.270 OA ATOM 61 C LIG 1 13.199 -0.687 -0.568 0.00 0.00 +0.042 A ATOM 62 C LIG 1 12.189 -1.239 -1.329 0.00 0.00 +0.013 A ATOM 63 C LIG 1 10.971 -0.556 -1.373 0.00 0.00 +0.004 A BRANCH 58 64 ATOM 64 C LIG 1 16.587 -0.347 0.843 0.00 0.00 +0.163 C ATOM 65 C LIG 1 17.384 0.649 -0.018 0.00 0.00 +0.240 C ATOM 66 O LIG 1 16.939 1.227 -1.008 0.00 0.00 -0.273 OA ATOM 67 N LIG 1 18.679 0.876 0.390 0.00 0.00 -0.255 N ATOM 68 H LIG 1 19.185 1.551 -0.169 0.00 0.00 +0.158 HD ATOM 69 C LIG 1 19.169 0.695 1.658 0.00 0.00 +0.219 C ATOM 70 O LIG 1 20.197 1.255 2.026 0.00 0.00 -0.275 OA ATOM 71 C LIG 1 18.384 -0.232 2.557 0.00 0.00 +0.098 C ATOM 72 C LIG 1 16.889 -0.092 2.316 0.00 0.00 +0.041 C ENDBRANCH 58 64 ENDBRANCH 51 54 ENDBRANCH 47 48 ENDBRANCH 43 47 ENDBRANCH 40 41 ENDBRANCH 39 40 ENDBRANCH 38 39 ENDBRANCH 37 38 ENDBRANCH 1 37 TORSDOF 16