REMARK Name = LIG000286 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.505 -2.934 -1.051 0.00 0.00 -0.280 N ATOM 2 C LIG 1 -1.160 -1.752 -0.422 0.00 0.00 +0.172 A ATOM 3 C LIG 1 0.220 -1.694 -0.486 0.00 0.00 +0.148 A ATOM 4 C LIG 1 0.837 -0.572 0.092 0.00 0.00 +0.152 A ATOM 5 N LIG 1 0.036 0.363 0.660 0.00 0.00 -0.197 NA ATOM 6 C LIG 1 -1.302 0.199 0.668 0.00 0.00 +0.219 A ATOM 7 N LIG 1 0.740 -2.787 -1.140 0.00 0.00 -0.230 NA ATOM 8 N LIG 1 -1.968 -0.835 0.138 0.00 0.00 -0.194 NA ATOM 9 C LIG 1 -0.316 -3.505 -1.460 0.00 0.00 +0.206 A ENDROOT BRANCH 1 14 ATOM 10 C LIG 1 -5.343 -5.769 -2.351 0.00 0.00 +0.172 C ATOM 11 N LIG 1 -4.502 -4.723 -1.821 0.00 0.00 -0.272 N ATOM 12 N LIG 1 -5.068 -3.675 -1.196 0.00 0.00 -0.178 NA ATOM 13 C LIG 1 -4.028 -2.911 -0.847 0.00 0.00 +0.160 A ATOM 14 C LIG 1 -2.801 -3.470 -1.251 0.00 0.00 +0.087 A ATOM 15 C LIG 1 -3.139 -4.649 -1.881 0.00 0.00 +0.134 A ENDBRANCH 1 14 BRANCH 6 16 ATOM 16 N LIG 1 -2.106 1.161 1.266 0.00 0.00 -0.313 N ATOM 17 H LIG 1 -3.042 1.010 0.899 0.00 0.00 +0.149 HD BRANCH 16 18 ATOM 18 C LIG 1 -1.619 2.529 1.135 0.00 0.00 +0.109 C BRANCH 18 19 ATOM 19 C LIG 1 -2.639 3.524 1.708 0.00 0.00 +0.057 C BRANCH 19 20 ATOM 20 C LIG 1 -3.899 3.603 0.911 0.00 0.00 -0.009 A ATOM 21 C LIG 1 -5.131 3.058 1.205 0.00 0.00 +0.108 A ATOM 22 N LIG 1 -5.960 3.402 0.177 0.00 0.00 -0.284 N ATOM 23 H LIG 1 -6.942 3.174 0.057 0.00 0.00 +0.188 HD ATOM 24 N LIG 1 -5.354 4.130 -0.773 0.00 0.00 -0.182 NA ATOM 25 C LIG 1 -4.105 4.261 -0.324 0.00 0.00 +0.137 A ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 16 18 ENDBRANCH 6 16 BRANCH 4 26 ATOM 26 N LIG 1 2.232 -0.428 0.100 0.00 0.00 -0.320 N ATOM 27 H LIG 1 2.626 -1.046 -0.612 0.00 0.00 +0.148 HD BRANCH 26 28 ATOM 28 C LIG 1 2.683 0.954 -0.025 0.00 0.00 +0.177 C BRANCH 28 29 ATOM 29 C LIG 1 4.169 1.089 0.100 0.00 0.00 +0.125 A ATOM 30 N LIG 1 4.862 0.419 1.080 0.00 0.00 -0.341 N ATOM 31 H LIG 1 4.441 -0.213 1.750 0.00 0.00 +0.167 HD ATOM 32 C LIG 1 6.189 0.735 0.959 0.00 0.00 +0.068 A ATOM 33 C LIG 1 6.237 1.605 -0.124 0.00 0.00 +0.091 A ATOM 34 C LIG 1 7.470 2.131 -0.532 0.00 0.00 +0.051 A ATOM 35 C LIG 1 8.624 1.761 0.174 0.00 0.00 +0.061 A ATOM 36 C LIG 1 8.549 0.881 1.264 0.00 0.00 +0.061 A ATOM 37 CL LIG 1 9.953 0.401 2.156 0.00 0.00 -0.082 Cl ATOM 38 CL LIG 1 10.126 2.439 -0.359 0.00 0.00 -0.082 Cl ATOM 39 C LIG 1 7.320 0.346 1.681 0.00 0.00 +0.049 A ATOM 40 N LIG 1 4.984 1.812 -0.643 0.00 0.00 -0.231 NA ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 4 26 TORSDOF 8