REMARK Name = LIG000661 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -4.398 0.938 -0.112 0.00 0.00 -0.282 N ATOM 2 C LIG 1 -3.374 1.589 -0.786 0.00 0.00 +0.248 C ATOM 3 O LIG 1 -3.324 2.757 -1.121 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -2.331 0.590 -1.039 0.00 0.00 +0.042 A ATOM 5 C LIG 1 -2.726 -0.609 -0.450 0.00 0.00 -0.017 A ATOM 6 C LIG 1 -1.917 -1.731 -0.534 0.00 0.00 +0.014 A ATOM 7 C LIG 1 -0.693 -1.634 -1.224 0.00 0.00 -0.012 A ATOM 8 C LIG 1 -0.320 -0.403 -1.814 0.00 0.00 +0.009 A ATOM 9 C LIG 1 -1.141 0.726 -1.723 0.00 0.00 +0.014 A ATOM 10 C LIG 1 -4.041 -0.432 0.233 0.00 0.00 +0.144 C ENDROOT BRANCH 1 17 ATOM 11 O LIG 1 -8.525 2.257 3.241 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 -7.643 2.165 2.393 0.00 0.00 +0.219 C ATOM 13 N LIG 1 -6.330 2.407 2.707 0.00 0.00 -0.255 N ATOM 14 H LIG 1 -6.157 2.574 3.689 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 -5.240 1.950 2.001 0.00 0.00 +0.240 C ATOM 16 O LIG 1 -4.161 1.788 2.567 0.00 0.00 -0.273 OA ATOM 17 C LIG 1 -5.496 1.666 0.511 0.00 0.00 +0.163 C ATOM 18 C LIG 1 -6.831 0.941 0.368 0.00 0.00 +0.041 C ATOM 19 C LIG 1 -7.939 1.802 0.956 0.00 0.00 +0.098 C ENDBRANCH 1 17 BRANCH 7 20 ATOM 20 C LIG 1 0.163 -2.805 -1.335 0.00 0.00 +0.046 A ATOM 21 C LIG 1 1.548 -2.805 -1.310 0.00 0.00 +0.165 A ATOM 22 N LIG 1 1.938 -4.142 -1.428 0.00 0.00 -0.221 N ATOM 23 C LIG 1 3.281 -4.487 -1.436 0.00 0.00 +0.118 A ATOM 24 C LIG 1 4.224 -3.543 -1.322 0.00 0.00 +0.063 A ATOM 25 C LIG 1 3.743 -2.127 -1.182 0.00 0.00 +0.123 A ATOM 26 N LIG 1 0.875 -4.978 -1.523 0.00 0.00 -0.173 NA ATOM 27 N LIG 1 2.472 -1.800 -1.187 0.00 0.00 -0.213 NA ATOM 28 C LIG 1 -0.181 -4.168 -1.465 0.00 0.00 +0.145 A BRANCH 25 29 ATOM 29 N LIG 1 4.616 -1.076 -1.048 0.00 0.00 -0.329 N ATOM 30 H LIG 1 4.083 -0.232 -0.836 0.00 0.00 +0.147 HD BRANCH 29 31 ATOM 31 C LIG 1 5.860 -1.151 -0.296 0.00 0.00 +0.107 C BRANCH 31 32 ATOM 32 C LIG 1 6.628 0.176 -0.361 0.00 0.00 +0.054 C BRANCH 32 33 ATOM 33 C LIG 1 5.933 1.309 0.356 0.00 0.00 -0.046 A ATOM 34 C LIG 1 5.944 1.380 1.756 0.00 0.00 +0.004 A ATOM 35 C LIG 1 5.280 2.415 2.417 0.00 0.00 +0.000 A ATOM 36 C LIG 1 4.600 3.387 1.686 0.00 0.00 +0.000 A ATOM 37 C LIG 1 4.584 3.327 0.294 0.00 0.00 +0.000 A ATOM 38 C LIG 1 5.248 2.294 -0.369 0.00 0.00 +0.004 A ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 25 29 ENDBRANCH 7 20 TORSDOF 6