REMARK Name = LIG000999 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.510 0.032 0.848 0.00 0.00 +0.028 A ATOM 2 C LIG 1 1.425 -0.210 -0.190 0.00 0.00 +0.028 A ATOM 3 C LIG 1 2.780 -0.024 0.044 0.00 0.00 -0.016 A ATOM 4 C LIG 1 3.938 -0.201 -0.878 0.00 0.00 +0.144 C ATOM 5 N LIG 1 5.080 0.067 -0.015 0.00 0.00 -0.282 N ATOM 6 C LIG 1 4.687 0.540 1.229 0.00 0.00 +0.248 C ATOM 7 O LIG 1 5.381 0.983 2.123 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 3.225 0.429 1.281 0.00 0.00 +0.042 A ATOM 9 C LIG 1 2.363 0.723 2.315 0.00 0.00 +0.015 A ATOM 10 C LIG 1 0.998 0.531 2.081 0.00 0.00 +0.023 A ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 6.427 0.205 -0.559 0.00 0.00 +0.163 C ATOM 12 C LIG 1 6.706 1.651 -0.998 0.00 0.00 +0.240 C ATOM 13 O LIG 1 5.838 2.409 -1.430 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 8.027 2.036 -1.003 0.00 0.00 -0.255 N ATOM 15 H LIG 1 8.210 2.976 -1.326 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 9.130 1.262 -0.743 0.00 0.00 +0.219 C ATOM 17 O LIG 1 10.264 1.694 -0.934 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 8.874 -0.161 -0.307 0.00 0.00 +0.098 C ATOM 19 C LIG 1 7.525 -0.293 0.381 0.00 0.00 +0.041 C ENDBRANCH 5 11 BRANCH 1 20 ATOM 20 N LIG 1 -0.877 -0.059 0.684 0.00 0.00 -0.340 N ATOM 21 H LIG 1 -1.350 -0.225 1.570 0.00 0.00 +0.146 HD BRANCH 20 22 ATOM 22 C LIG 1 -1.432 -0.895 -0.380 0.00 0.00 +0.140 C BRANCH 22 29 ATOM 23 C LIG 1 -7.101 1.690 -0.150 0.00 0.00 +0.121 A ATOM 24 C LIG 1 -5.706 1.631 -0.207 0.00 0.00 +0.054 A ATOM 25 C LIG 1 -5.027 0.402 -0.229 0.00 0.00 -0.014 A ATOM 26 C LIG 1 -5.766 -0.796 -0.194 0.00 0.00 -0.014 A ATOM 27 C LIG 1 -5.088 -2.028 -0.220 0.00 0.00 +0.054 A ATOM 28 C LIG 1 -3.689 -2.088 -0.276 0.00 0.00 +0.125 A ATOM 29 C LIG 1 -2.946 -0.896 -0.299 0.00 0.00 +0.012 A ATOM 30 C LIG 1 -7.168 -0.728 -0.138 0.00 0.00 +0.012 A ATOM 31 C LIG 1 -3.628 0.337 -0.286 0.00 0.00 +0.017 A ATOM 32 C LIG 1 -7.830 0.504 -0.116 0.00 0.00 +0.046 A BRANCH 23 34 ATOM 33 C LIG 1 -9.036 3.070 -0.074 0.00 0.00 +0.277 C ATOM 34 O LIG 1 -7.620 2.955 -0.135 0.00 0.00 -0.495 OA ENDBRANCH 23 34 BRANCH 28 35 ATOM 35 O LIG 1 -2.965 -3.251 -0.317 0.00 0.00 -0.495 OA ATOM 36 C LIG 1 -3.680 -4.478 -0.250 0.00 0.00 +0.277 C ENDBRANCH 28 35 ENDBRANCH 22 29 ENDBRANCH 20 22 ENDBRANCH 1 20 TORSDOF 6