REMARK Name = BDB010485 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.945 2.681 -2.103 0.00 0.00 +0.210 A ATOM 2 N LIG 1 0.345 2.450 -2.340 0.00 0.00 -0.199 NA ATOM 3 C LIG 1 0.787 1.389 -1.644 0.00 0.00 +0.186 A ATOM 4 N LIG 1 2.076 0.951 -1.685 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 2.125 -0.043 -0.831 0.00 0.00 +0.201 A ATOM 6 N LIG 1 0.879 -0.313 -0.296 0.00 0.00 -0.307 N ATOM 7 C LIG 1 -0.001 0.624 -0.792 0.00 0.00 +0.129 A ATOM 8 C LIG 1 -1.349 0.947 -0.620 0.00 0.00 +0.149 A ATOM 9 N LIG 1 -1.788 2.025 -1.295 0.00 0.00 -0.204 NA ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 3.226 -0.764 -0.474 0.00 0.00 -0.289 N ATOM 11 C LIG 1 4.194 -0.093 0.469 0.00 0.00 +0.132 C ATOM 12 C LIG 1 5.399 0.488 -0.313 0.00 0.00 +0.187 C ATOM 13 O LIG 1 6.182 -0.537 -0.961 0.00 0.00 -0.376 OA ATOM 14 C LIG 1 5.396 -1.674 -1.351 0.00 0.00 +0.179 C ATOM 15 C LIG 1 3.937 -1.320 -1.669 0.00 0.00 +0.136 C BRANCH 11 16 ATOM 16 C LIG 1 3.563 0.884 1.456 0.00 0.00 -0.025 A ATOM 17 C LIG 1 3.301 2.221 1.116 0.00 0.00 +0.005 A ATOM 18 C LIG 1 2.705 3.089 2.034 0.00 0.00 +0.000 A ATOM 19 C LIG 1 2.367 2.636 3.306 0.00 0.00 +0.000 A ATOM 20 C LIG 1 2.621 1.314 3.662 0.00 0.00 +0.000 A ATOM 21 C LIG 1 3.214 0.444 2.745 0.00 0.00 +0.005 A ENDBRANCH 11 16 ENDBRANCH 5 10 BRANCH 1 22 ATOM 22 S LIG 1 -1.602 4.111 -2.938 0.00 0.00 +0.025 S ATOM 23 O LIG 1 -3.264 4.016 -2.961 0.00 0.00 -0.154 OA BRANCH 22 25 ATOM 24 C LIG 1 -1.584 6.703 -2.032 0.00 0.00 +0.017 C ATOM 25 C LIG 1 -1.144 5.305 -1.645 0.00 0.00 +0.095 C ENDBRANCH 22 25 ENDBRANCH 1 22 BRANCH 8 26 ATOM 26 N LIG 1 -2.209 0.236 0.200 0.00 0.00 -0.324 N ATOM 27 H LIG 1 -2.019 -0.756 0.176 0.00 0.00 +0.148 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.651 0.521 0.251 0.00 0.00 +0.072 C ATOM 29 C LIG 1 -4.336 0.209 -1.079 0.00 0.00 +0.028 C BRANCH 28 30 ATOM 30 C LIG 1 -3.994 1.937 0.740 0.00 0.00 +0.009 C ATOM 31 C LIG 1 -5.405 2.115 1.372 0.00 0.00 +0.005 C ATOM 32 C LIG 1 -4.756 1.921 2.754 0.00 0.00 +0.001 C ATOM 33 C LIG 1 -3.423 2.359 2.124 0.00 0.00 +0.005 C ENDBRANCH 28 30 ENDBRANCH 26 28 ENDBRANCH 8 26 BRANCH 6 34 ATOM 34 C LIG 1 0.613 -1.372 0.661 0.00 0.00 +0.128 C BRANCH 34 35 ATOM 35 C LIG 1 0.542 -2.780 0.038 0.00 0.00 +0.009 C ATOM 36 C LIG 1 -0.653 -2.954 -0.911 0.00 0.00 +0.005 C ATOM 37 C LIG 1 -0.711 -4.368 -1.488 0.00 0.00 +0.003 C ATOM 38 C LIG 1 -0.754 -5.428 -0.382 0.00 0.00 -0.014 C ATOM 39 C LIG 1 -0.762 -6.833 -0.980 0.00 0.00 +0.007 C ATOM 40 C LIG 1 0.427 -5.256 0.582 0.00 0.00 +0.003 C ATOM 41 C LIG 1 0.493 -3.840 1.150 0.00 0.00 +0.005 C ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 9