REMARK Name = LIG001950 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.242 0.813 -1.141 0.00 0.00 +0.127 C ATOM 2 C LIG 1 -2.680 1.968 -0.299 0.00 0.00 +0.134 C ATOM 3 N LIG 1 -1.226 1.871 -0.130 0.00 0.00 -0.299 N ATOM 4 C LIG 1 -0.676 2.094 1.130 0.00 0.00 +0.216 C ATOM 5 O LIG 1 -1.375 2.311 2.118 0.00 0.00 -0.276 OA ATOM 6 C LIG 1 -0.426 1.673 -1.339 0.00 0.00 +0.108 C ATOM 7 C LIG 1 -1.271 1.526 -2.601 0.00 0.00 +0.021 C ATOM 8 C LIG 1 -2.394 0.511 -2.395 0.00 0.00 +0.030 C ENDROOT BRANCH 1 13 ATOM 9 C LIG 1 -7.315 2.689 -3.016 0.00 0.00 +0.131 A ATOM 10 C LIG 1 -6.553 1.818 -2.226 0.00 0.00 +0.086 A ATOM 11 C LIG 1 -6.754 0.717 -1.340 0.00 0.00 +0.105 A ATOM 12 N LIG 1 -5.582 0.216 -0.909 0.00 0.00 -0.168 NA ATOM 13 N LIG 1 -4.651 1.030 -1.449 0.00 0.00 -0.241 N ATOM 14 C LIG 1 -5.181 1.999 -2.257 0.00 0.00 +0.164 A ATOM 15 N LIG 1 -4.504 2.934 -2.947 0.00 0.00 -0.216 NA ATOM 16 C LIG 1 -5.336 3.716 -3.654 0.00 0.00 +0.225 A ATOM 17 N LIG 1 -6.677 3.640 -3.732 0.00 0.00 -0.220 NA BRANCH 11 18 ATOM 18 C LIG 1 -8.012 0.113 -0.910 0.00 0.00 +0.003 A ATOM 19 C LIG 1 -8.183 -1.277 -0.975 0.00 0.00 +0.014 A ATOM 20 C LIG 1 -9.388 -1.863 -0.577 0.00 0.00 +0.047 A ATOM 21 C LIG 1 -10.433 -1.059 -0.120 0.00 0.00 +0.128 A ATOM 22 C LIG 1 -10.261 0.322 -0.017 0.00 0.00 +0.047 A ATOM 23 C LIG 1 -9.055 0.907 -0.412 0.00 0.00 +0.014 A BRANCH 21 24 ATOM 24 O LIG 1 -11.633 -1.573 0.315 0.00 0.00 -0.456 OA BRANCH 24 25 ATOM 25 C LIG 1 -12.255 -2.503 -0.487 0.00 0.00 +0.128 A ATOM 26 C LIG 1 -12.821 -3.607 0.152 0.00 0.00 +0.046 A ATOM 27 C LIG 1 -13.498 -4.572 -0.594 0.00 0.00 +0.004 A ATOM 28 C LIG 1 -13.621 -4.426 -1.976 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -13.073 -3.311 -2.613 0.00 0.00 +0.004 A ATOM 30 C LIG 1 -12.397 -2.344 -1.868 0.00 0.00 +0.046 A ENDBRANCH 24 25 ENDBRANCH 21 24 ENDBRANCH 11 18 BRANCH 9 31 ATOM 31 N LIG 1 -8.694 2.640 -3.150 0.00 0.00 -0.342 N ATOM 32 H LIG 1 -9.124 1.735 -3.010 0.00 0.00 +0.144 HD ATOM 33 H LIG 1 -9.000 3.164 -3.962 0.00 0.00 +0.144 HD ENDBRANCH 9 31 ENDBRANCH 1 13 BRANCH 4 34 ATOM 34 C LIG 1 0.847 2.085 1.220 0.00 0.00 +0.096 C BRANCH 34 35 ATOM 35 C LIG 1 1.345 2.189 2.665 0.00 0.00 +0.009 C BRANCH 35 36 ATOM 36 C LIG 1 2.834 2.526 2.785 0.00 0.00 +0.000 C BRANCH 36 37 ATOM 37 C LIG 1 3.759 1.506 2.117 0.00 0.00 +0.000 C BRANCH 37 38 ATOM 38 C LIG 1 5.244 1.832 2.317 0.00 0.00 +0.002 C BRANCH 38 39 ATOM 39 C LIG 1 5.761 1.708 3.758 0.00 0.00 +0.019 C BRANCH 39 40 ATOM 40 C LIG 1 5.638 0.311 4.377 0.00 0.00 +0.101 C BRANCH 40 41 ATOM 41 N LIG 1 6.400 -0.692 3.637 0.00 0.00 -0.343 N ATOM 42 H LIG 1 6.043 -0.837 2.686 0.00 0.00 +0.146 HD BRANCH 41 43 ATOM 43 C LIG 1 7.794 -0.683 3.674 0.00 0.00 +0.040 A ATOM 44 C LIG 1 8.555 -0.990 2.553 0.00 0.00 +0.070 A ATOM 45 C LIG 1 8.144 -1.276 1.175 0.00 0.00 +0.256 C ATOM 46 N LIG 1 9.288 -1.452 0.445 0.00 0.00 -0.222 N ATOM 47 C LIG 1 10.402 -1.357 1.231 0.00 0.00 +0.255 C ATOM 48 O LIG 1 11.570 -1.510 0.928 0.00 0.00 -0.270 OA ATOM 49 O LIG 1 6.988 -1.307 0.790 0.00 0.00 -0.269 OA ATOM 50 C LIG 1 9.940 -1.031 2.577 0.00 0.00 +0.051 A ATOM 51 C LIG 1 10.665 -0.788 3.724 0.00 0.00 +0.014 A ATOM 52 C LIG 1 9.939 -0.496 4.877 0.00 0.00 +0.003 A ATOM 53 C LIG 1 8.526 -0.451 4.851 0.00 0.00 +0.024 A BRANCH 46 54 ATOM 54 C LIG 1 9.287 -1.857 -0.953 0.00 0.00 +0.171 C ATOM 55 C LIG 1 9.583 -3.357 -1.049 0.00 0.00 +0.240 C ATOM 56 O LIG 1 9.350 -4.160 -0.148 0.00 0.00 -0.273 OA ATOM 57 N LIG 1 10.064 -3.795 -2.263 0.00 0.00 -0.255 N ATOM 58 H LIG 1 10.250 -4.787 -2.329 0.00 0.00 +0.158 HD ATOM 59 C LIG 1 10.419 -3.041 -3.353 0.00 0.00 +0.219 C ATOM 60 O LIG 1 10.882 -3.563 -4.363 0.00 0.00 -0.275 OA ATOM 61 C LIG 1 10.150 -1.557 -3.265 0.00 0.00 +0.098 C ATOM 62 C LIG 1 10.252 -1.063 -1.830 0.00 0.00 +0.041 C ENDBRANCH 46 54 ENDBRANCH 41 43 ENDBRANCH 40 41 ENDBRANCH 39 40 ENDBRANCH 38 39 ENDBRANCH 37 38 ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 4 34 TORSDOF 15