REMARK Name = LIG001668 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.396 -0.321 -1.486 0.00 0.00 +0.064 A ATOM 2 C LIG 1 -2.595 -0.821 -2.032 0.00 0.00 +0.148 A ATOM 3 C LIG 1 -3.603 -1.421 -1.266 0.00 0.00 +0.048 A ATOM 4 C LIG 1 -3.429 -1.530 0.109 0.00 0.00 +0.045 A ATOM 5 C LIG 1 -4.371 -2.156 1.025 0.00 0.00 +0.085 A ATOM 6 N LIG 1 -5.732 -2.416 0.986 0.00 0.00 -0.232 N ATOM 7 N LIG 1 -6.066 -3.314 1.968 0.00 0.00 -0.174 NA ATOM 8 C LIG 1 -5.002 -3.362 2.765 0.00 0.00 +0.143 A ATOM 9 C LIG 1 -3.927 -2.637 2.241 0.00 0.00 +0.041 A ATOM 10 C LIG 1 -2.525 -2.413 2.706 0.00 0.00 +0.133 C ATOM 11 O LIG 1 -1.880 -1.297 2.002 0.00 0.00 -0.481 OA ATOM 12 C LIG 1 -2.488 -2.027 4.191 0.00 0.00 +0.061 C ATOM 13 C LIG 1 -1.660 -3.662 2.486 0.00 0.00 +0.061 C ATOM 14 C LIG 1 -2.202 -1.119 0.671 0.00 0.00 +0.133 A ATOM 15 C LIG 1 -1.220 -0.492 -0.108 0.00 0.00 +0.071 A ENDROOT BRANCH 1 20 ATOM 16 C LIG 1 3.771 1.359 -2.178 0.00 0.00 +0.240 C ATOM 17 N LIG 1 2.414 1.119 -2.213 0.00 0.00 -0.295 N ATOM 18 C LIG 1 1.907 0.157 -3.189 0.00 0.00 +0.127 C ATOM 19 C LIG 1 0.707 -0.624 -2.627 0.00 0.00 +0.124 C ATOM 20 N LIG 1 -0.414 0.288 -2.282 0.00 0.00 -0.325 N ATOM 21 C LIG 1 -0.024 1.668 -1.900 0.00 0.00 +0.124 C ATOM 22 C LIG 1 1.411 1.764 -1.352 0.00 0.00 +0.127 C ATOM 23 O LIG 1 4.559 0.919 -3.008 0.00 0.00 -0.271 OA BRANCH 16 25 ATOM 24 C LIG 1 5.542 2.623 -1.066 0.00 0.00 +0.056 C ATOM 25 C LIG 1 4.272 2.170 -1.043 0.00 0.00 +0.071 C BRANCH 24 26 ATOM 26 C LIG 1 6.050 3.326 0.133 0.00 0.00 +0.186 C ATOM 27 O LIG 1 5.342 4.125 0.738 0.00 0.00 -0.287 OA BRANCH 26 31 ATOM 28 C LIG 1 9.930 2.364 1.702 0.00 0.00 +0.120 A ATOM 29 C LIG 1 9.363 1.550 0.711 0.00 0.00 +0.046 A ATOM 30 C LIG 1 8.119 1.866 0.162 0.00 0.00 +0.015 A ATOM 31 C LIG 1 7.428 3.010 0.596 0.00 0.00 +0.022 A ATOM 32 C LIG 1 8.015 3.841 1.560 0.00 0.00 +0.015 A ATOM 33 C LIG 1 9.267 3.525 2.100 0.00 0.00 +0.046 A BRANCH 28 35 ATOM 34 C LIG 1 11.602 2.549 3.376 0.00 0.00 +0.277 C ATOM 35 O LIG 1 11.111 1.907 2.208 0.00 0.00 -0.495 OA ENDBRANCH 28 35 ENDBRANCH 26 31 ENDBRANCH 24 26 ENDBRANCH 16 25 ENDBRANCH 1 20 BRANCH 6 36 ATOM 36 C LIG 1 -6.773 -1.852 0.187 0.00 0.00 +0.066 A ATOM 37 C LIG 1 -7.998 -2.530 0.091 0.00 0.00 +0.028 A ATOM 38 C LIG 1 -9.050 -1.994 -0.663 0.00 0.00 +0.017 A ATOM 39 C LIG 1 -8.893 -0.769 -1.319 0.00 0.00 +0.059 A ATOM 40 C LIG 1 -7.684 -0.074 -1.204 0.00 0.00 +0.017 A ATOM 41 C LIG 1 -6.629 -0.611 -0.446 0.00 0.00 +0.028 A BRANCH 39 42 ATOM 42 C LIG 1 -10.037 -0.233 -2.096 0.00 0.00 +0.337 C ATOM 43 O LIG 1 -11.164 -0.691 -2.115 0.00 0.00 -0.245 OA BRANCH 42 44 ATOM 44 O LIG 1 -9.709 0.858 -2.811 0.00 0.00 -0.477 OA ATOM 45 H LIG 1 -10.546 1.095 -3.260 0.00 0.00 +0.295 HD ENDBRANCH 42 44 ENDBRANCH 39 42 ENDBRANCH 6 36 BRANCH 2 46 ATOM 46 N LIG 1 -2.828 -0.720 -3.456 0.00 0.00 +0.058 N ATOM 47 O LIG 1 -3.599 0.181 -3.829 0.00 0.00 -0.126 OA ATOM 48 O LIG 1 -2.313 -1.581 -4.177 0.00 0.00 -0.126 OA ENDBRANCH 2 46 TORSDOF 9