REMARK Name = LIG001864 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.539 2.128 1.857 0.00 0.00 -0.045 A ATOM 2 C LIG 1 -0.221 2.145 1.372 0.00 0.00 +0.027 A ATOM 3 C LIG 1 0.683 1.104 1.645 0.00 0.00 +0.032 A ATOM 4 C LIG 1 0.224 0.025 2.406 0.00 0.00 +0.023 A ATOM 5 C LIG 1 -1.085 -0.006 2.897 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -1.963 1.040 2.623 0.00 0.00 +0.004 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 1.964 1.173 1.079 0.00 0.00 -0.310 N ATOM 8 H LIG 1 2.303 2.116 0.884 0.00 0.00 +0.152 HD BRANCH 7 9 ATOM 9 C LIG 1 2.902 0.203 0.853 0.00 0.00 +0.099 C ATOM 10 C LIG 1 4.290 0.608 0.483 0.00 0.00 +0.268 C ATOM 11 O LIG 1 4.646 1.767 0.347 0.00 0.00 -0.268 OA ATOM 12 N LIG 1 5.027 -0.520 0.339 0.00 0.00 -0.221 N ATOM 13 C LIG 1 4.223 -1.603 0.452 0.00 0.00 +0.249 C ATOM 14 O LIG 1 4.497 -2.775 0.272 0.00 0.00 -0.270 OA ATOM 15 C LIG 1 2.885 -1.130 0.813 0.00 0.00 +0.096 C BRANCH 12 16 ATOM 16 C LIG 1 6.393 -0.525 -0.161 0.00 0.00 +0.171 C ATOM 17 C LIG 1 6.377 -0.762 -1.674 0.00 0.00 +0.240 C ATOM 18 O LIG 1 5.406 -0.528 -2.392 0.00 0.00 -0.273 OA ATOM 19 N LIG 1 7.561 -1.201 -2.222 0.00 0.00 -0.255 N ATOM 20 H LIG 1 7.559 -1.346 -3.223 0.00 0.00 +0.158 HD ATOM 21 C LIG 1 8.697 -1.602 -1.562 0.00 0.00 +0.219 C ATOM 22 O LIG 1 9.667 -2.033 -2.178 0.00 0.00 -0.275 OA ATOM 23 C LIG 1 8.708 -1.422 -0.061 0.00 0.00 +0.098 C ATOM 24 C LIG 1 7.306 -1.541 0.520 0.00 0.00 +0.041 C ENDBRANCH 12 16 ENDBRANCH 7 9 ENDBRANCH 3 7 BRANCH 1 25 ATOM 25 C LIG 1 -2.494 3.250 1.522 0.00 0.00 +0.044 C BRANCH 25 26 ATOM 26 C LIG 1 -3.202 3.021 0.188 0.00 0.00 +0.101 C BRANCH 26 29 ATOM 27 N LIG 1 -4.580 1.389 -0.932 0.00 0.00 -0.285 N ATOM 28 H LIG 1 -3.984 1.655 -1.706 0.00 0.00 +0.155 HD ATOM 29 C LIG 1 -4.331 2.005 0.284 0.00 0.00 +0.218 C ATOM 30 O LIG 1 -4.954 1.828 1.326 0.00 0.00 -0.275 OA BRANCH 27 36 ATOM 31 C LIG 1 -8.438 -2.603 -2.390 0.00 0.00 +0.045 C ATOM 32 C LIG 1 -7.446 -1.558 -1.967 0.00 0.00 -0.032 A ATOM 33 C LIG 1 -7.392 -1.072 -0.652 0.00 0.00 +0.046 A ATOM 34 CL LIG 1 -8.477 -1.654 0.563 0.00 0.00 -0.083 Cl ATOM 35 C LIG 1 -6.457 -0.097 -0.282 0.00 0.00 +0.043 A ATOM 36 C LIG 1 -5.555 0.410 -1.218 0.00 0.00 +0.035 A ATOM 37 C LIG 1 -5.605 -0.073 -2.530 0.00 0.00 +0.023 A ATOM 38 C LIG 1 -6.538 -1.046 -2.902 0.00 0.00 +0.006 A ENDBRANCH 27 36 ENDBRANCH 26 29 ENDBRANCH 25 26 ENDBRANCH 1 25 TORSDOF 7