REMARK Name = LIG000383 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.350 -0.617 -2.578 0.00 0.00 -0.314 N ATOM 2 H LIG 1 -0.123 -0.528 -3.563 0.00 0.00 +0.152 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 -1.674 -0.266 -2.256 0.00 0.00 +0.032 A ATOM 4 C LIG 1 -2.052 0.163 -0.976 0.00 0.00 +0.037 A ATOM 5 C LIG 1 -3.386 0.448 -0.753 0.00 0.00 +0.051 A ATOM 6 C LIG 1 -4.066 0.913 0.453 0.00 0.00 +0.255 C ATOM 7 N LIG 1 -5.391 1.046 0.134 0.00 0.00 -0.222 N ATOM 8 C LIG 1 -5.628 0.692 -1.165 0.00 0.00 +0.254 C ATOM 9 O LIG 1 -6.678 0.691 -1.776 0.00 0.00 -0.270 OA ATOM 10 O LIG 1 -3.514 1.101 1.520 0.00 0.00 -0.270 OA ATOM 11 C LIG 1 -4.341 0.312 -1.740 0.00 0.00 +0.050 A ATOM 12 C LIG 1 -4.017 -0.113 -3.010 0.00 0.00 +0.015 A ATOM 13 C LIG 1 -2.670 -0.404 -3.259 0.00 0.00 +0.024 A BRANCH 7 14 ATOM 14 C LIG 1 -6.398 1.499 1.082 0.00 0.00 +0.171 C ATOM 15 C LIG 1 -7.076 2.756 0.538 0.00 0.00 +0.240 C ATOM 16 O LIG 1 -6.444 3.752 0.187 0.00 0.00 -0.273 OA ATOM 17 N LIG 1 -8.441 2.715 0.404 0.00 0.00 -0.255 N ATOM 18 H LIG 1 -8.863 3.554 0.030 0.00 0.00 +0.158 HD ATOM 19 C LIG 1 -9.227 1.596 0.308 0.00 0.00 +0.219 C ATOM 20 O LIG 1 -10.390 1.679 -0.081 0.00 0.00 -0.275 OA ATOM 21 C LIG 1 -8.587 0.271 0.640 0.00 0.00 +0.098 C ATOM 22 C LIG 1 -7.379 0.425 1.547 0.00 0.00 +0.041 C ENDBRANCH 7 14 ENDBRANCH 1 3 BRANCH 1 26 ATOM 23 C LIG 1 2.951 -1.803 -0.212 0.00 0.00 +0.158 A ATOM 24 C LIG 1 1.659 -2.094 0.215 0.00 0.00 +0.050 A ATOM 25 C LIG 1 0.559 -1.712 -0.566 0.00 0.00 +0.027 A ATOM 26 C LIG 1 0.727 -1.049 -1.785 0.00 0.00 +0.032 A ATOM 27 C LIG 1 2.033 -0.761 -2.201 0.00 0.00 +0.027 A ATOM 28 C LIG 1 3.133 -1.136 -1.424 0.00 0.00 +0.050 A BRANCH 23 29 ATOM 29 O LIG 1 4.106 -2.110 0.456 0.00 0.00 -0.333 OA BRANCH 29 30 ATOM 30 S LIG 1 4.132 -2.905 1.875 0.00 0.00 +0.194 S ATOM 31 O LIG 1 3.754 -4.281 1.627 0.00 0.00 -0.119 OA ATOM 32 O LIG 1 3.438 -2.122 2.877 0.00 0.00 -0.119 OA BRANCH 30 34 ATOM 33 C LIG 1 6.662 -3.658 1.397 0.00 0.00 +0.135 C ATOM 34 N LIG 1 5.775 -2.920 2.313 0.00 0.00 -0.141 NA BRANCH 34 35 ATOM 35 C LIG 1 6.321 -1.616 2.774 0.00 0.00 +0.208 C BRANCH 35 36 ATOM 36 C LIG 1 6.367 -0.584 1.696 0.00 0.00 +0.212 A ATOM 37 O LIG 1 5.410 0.391 1.744 0.00 0.00 -0.443 OA ATOM 38 C LIG 1 5.648 1.154 0.637 0.00 0.00 +0.128 A ATOM 39 C LIG 1 6.735 0.612 -0.010 0.00 0.00 +0.156 A ATOM 40 N LIG 1 7.184 -0.497 0.663 0.00 0.00 -0.220 NA BRANCH 38 41 ATOM 41 C LIG 1 4.793 2.382 0.238 0.00 0.00 +0.057 C ATOM 42 C LIG 1 4.421 2.600 -1.205 0.00 0.00 +0.012 C ATOM 43 C LIG 1 5.399 3.524 -0.534 0.00 0.00 +0.012 C ENDBRANCH 38 41 ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 30 34 ENDBRANCH 29 30 ENDBRANCH 23 29 ENDBRANCH 1 26 TORSDOF 9