REMARK Name = LIG001957 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.450 -1.721 1.054 0.00 0.00 +0.034 A ATOM 2 C LIG 1 -0.627 -0.831 0.991 0.00 0.00 +0.037 A ATOM 3 C LIG 1 -1.810 -1.296 0.444 0.00 0.00 +0.051 A ATOM 4 C LIG 1 -3.086 -0.615 0.228 0.00 0.00 +0.255 C ATOM 5 N LIG 1 -3.938 -1.538 -0.316 0.00 0.00 -0.222 N ATOM 6 C LIG 1 -3.305 -2.731 -0.540 0.00 0.00 +0.254 C ATOM 7 O LIG 1 -3.741 -3.744 -1.052 0.00 0.00 -0.270 OA ATOM 8 O LIG 1 -3.288 0.557 0.480 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -1.944 -2.586 -0.031 0.00 0.00 +0.050 A ATOM 10 C LIG 1 -0.903 -3.488 0.011 0.00 0.00 +0.015 A ATOM 11 C LIG 1 0.304 -3.042 0.562 0.00 0.00 +0.024 A ENDROOT BRANCH 5 12 ATOM 12 C LIG 1 -5.269 -1.246 -0.824 0.00 0.00 +0.171 C ATOM 13 C LIG 1 -5.149 -0.475 -2.142 0.00 0.00 +0.240 C ATOM 14 O LIG 1 -4.156 -0.507 -2.867 0.00 0.00 -0.273 OA ATOM 15 N LIG 1 -6.270 0.226 -2.527 0.00 0.00 -0.255 N ATOM 16 H LIG 1 -6.199 0.726 -3.403 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 -7.420 0.440 -1.807 0.00 0.00 +0.219 C ATOM 18 O LIG 1 -8.326 1.137 -2.253 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 -7.531 -0.277 -0.481 0.00 0.00 +0.098 C ATOM 20 C LIG 1 -6.163 -0.485 0.152 0.00 0.00 +0.041 C ENDBRANCH 5 12 BRANCH 1 22 ATOM 21 C LIG 1 2.088 -0.183 2.154 0.00 0.00 +0.266 C ATOM 22 N LIG 1 1.707 -1.379 1.581 0.00 0.00 -0.280 N ATOM 23 H LIG 1 2.438 -2.087 1.574 0.00 0.00 +0.155 HD ATOM 24 O LIG 1 1.411 0.811 2.356 0.00 0.00 -0.268 OA BRANCH 21 25 ATOM 25 C LIG 1 3.560 -0.186 2.572 0.00 0.00 +0.146 C ATOM 26 N LIG 1 4.133 -1.352 2.714 0.00 0.00 -0.086 NA BRANCH 26 27 ATOM 27 O LIG 1 5.478 -1.222 3.074 0.00 0.00 -0.409 OA ATOM 28 H LIG 1 5.771 -2.148 3.175 0.00 0.00 +0.328 HD ENDBRANCH 26 27 BRANCH 25 29 ATOM 29 C LIG 1 4.212 1.169 2.736 0.00 0.00 +0.099 C BRANCH 29 35 ATOM 30 C LIG 1 5.697 3.411 -2.448 0.00 0.00 +0.045 C ATOM 31 C LIG 1 5.340 2.828 -1.110 0.00 0.00 -0.032 A ATOM 32 C LIG 1 6.192 1.942 -0.435 0.00 0.00 +0.044 A ATOM 33 CL LIG 1 7.710 1.459 -1.105 0.00 0.00 -0.083 Cl ATOM 34 C LIG 1 5.830 1.414 0.810 0.00 0.00 +0.024 A ATOM 35 C LIG 1 4.612 1.764 1.407 0.00 0.00 -0.040 A ATOM 36 C LIG 1 3.759 2.643 0.733 0.00 0.00 +0.004 A ATOM 37 C LIG 1 4.119 3.170 -0.510 0.00 0.00 +0.005 A ENDBRANCH 29 35 ENDBRANCH 25 29 ENDBRANCH 21 25 ENDBRANCH 1 22 TORSDOF 6