REMARK Name = LIG001883 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -3.784 0.297 0.047 0.00 0.00 -0.282 N ATOM 2 C LIG 1 -3.460 -0.905 -0.566 0.00 0.00 +0.248 C ATOM 3 O LIG 1 -4.207 -1.781 -0.955 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.996 -0.956 -0.650 0.00 0.00 +0.042 A ATOM 5 C LIG 1 -1.485 0.167 -0.007 0.00 0.00 -0.016 A ATOM 6 C LIG 1 -0.116 0.365 0.069 0.00 0.00 +0.029 A ATOM 7 C LIG 1 0.743 -0.583 -0.519 0.00 0.00 +0.034 A ATOM 8 C LIG 1 0.198 -1.712 -1.162 0.00 0.00 +0.024 A ATOM 9 C LIG 1 -1.187 -1.909 -1.230 0.00 0.00 +0.015 A ATOM 10 C LIG 1 -2.602 0.992 0.537 0.00 0.00 +0.144 C ENDROOT BRANCH 1 17 ATOM 11 O LIG 1 -9.016 0.030 1.758 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 -7.868 0.148 1.338 0.00 0.00 +0.219 C ATOM 13 N LIG 1 -6.800 -0.326 2.058 0.00 0.00 -0.255 N ATOM 14 H LIG 1 -7.025 -0.797 2.924 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 -5.461 -0.124 1.814 0.00 0.00 +0.240 C ATOM 16 O LIG 1 -4.621 -0.451 2.652 0.00 0.00 -0.273 OA ATOM 17 C LIG 1 -5.119 0.641 0.526 0.00 0.00 +0.163 C ATOM 18 C LIG 1 -6.218 0.453 -0.519 0.00 0.00 +0.041 C ATOM 19 C LIG 1 -7.550 0.898 0.066 0.00 0.00 +0.098 C ENDBRANCH 1 17 BRANCH 7 20 ATOM 20 N LIG 1 2.128 -0.332 -0.411 0.00 0.00 -0.281 N ATOM 21 H LIG 1 2.384 0.505 0.088 0.00 0.00 +0.155 HD ATOM 22 C LIG 1 3.169 -1.080 -0.930 0.00 0.00 +0.250 C ATOM 23 O LIG 1 3.050 -2.095 -1.608 0.00 0.00 -0.270 OA BRANCH 22 24 ATOM 24 C LIG 1 4.503 -0.548 -0.614 0.00 0.00 +0.055 A ATOM 25 C LIG 1 5.678 -1.091 -1.116 0.00 0.00 +0.104 A ATOM 26 N LIG 1 6.754 -0.384 -0.643 0.00 0.00 -0.322 N ATOM 27 C LIG 1 6.281 0.630 0.178 0.00 0.00 +0.047 A ATOM 28 C LIG 1 7.243 1.491 0.781 0.00 0.00 +0.026 A ATOM 29 C LIG 1 8.554 1.296 0.536 0.00 0.00 +0.003 A ATOM 30 C LIG 1 9.017 0.224 -0.331 0.00 0.00 +0.018 A ATOM 31 C LIG 1 8.109 -0.589 -0.898 0.00 0.00 +0.091 A ATOM 32 C LIG 1 4.904 0.548 0.213 0.00 0.00 +0.040 A ENDBRANCH 22 24 ENDBRANCH 7 20 TORSDOF 3