REMARK Name = BDB003760 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.586 -0.968 -0.956 0.00 0.00 -0.284 N ATOM 2 H LIG 1 -0.897 -1.807 -1.422 0.00 0.00 +0.155 HD ENDROOT BRANCH 1 8 ATOM 3 C LIG 1 -4.683 1.881 2.933 0.00 0.00 +0.152 C ATOM 4 N LIG 1 -5.006 1.064 1.763 0.00 0.00 -0.307 N ATOM 5 C LIG 1 -3.912 0.558 0.987 0.00 0.00 +0.106 A ATOM 6 C LIG 1 -3.931 -0.616 0.238 0.00 0.00 +0.163 A ATOM 7 N LIG 1 -2.811 -1.089 -0.373 0.00 0.00 -0.195 NA ATOM 8 C LIG 1 -1.665 -0.401 -0.285 0.00 0.00 +0.221 A ATOM 9 N LIG 1 -1.558 0.734 0.402 0.00 0.00 -0.220 NA ATOM 10 N LIG 1 -5.116 -1.386 0.114 0.00 0.00 -0.326 N ATOM 11 C LIG 1 -4.851 -2.778 -0.264 0.00 0.00 +0.151 C ATOM 12 C LIG 1 -6.283 -0.791 -0.404 0.00 0.00 +0.056 A ATOM 13 C LIG 1 -6.856 0.325 0.217 0.00 0.00 +0.063 A ATOM 14 C LIG 1 -8.019 0.924 -0.312 0.00 0.00 +0.015 A ATOM 15 C LIG 1 -8.613 0.434 -1.471 0.00 0.00 +0.001 A ATOM 16 C LIG 1 -8.057 -0.667 -2.103 0.00 0.00 +0.002 A ATOM 17 C LIG 1 -6.912 -1.270 -1.575 0.00 0.00 +0.026 A ATOM 18 C LIG 1 -2.671 1.177 1.020 0.00 0.00 +0.144 A ATOM 19 C LIG 1 -6.368 0.876 1.502 0.00 0.00 +0.261 A ATOM 20 O LIG 1 -7.238 1.271 2.286 0.00 0.00 -0.267 OA ENDBRANCH 1 8 BRANCH 1 21 ATOM 21 C LIG 1 0.734 -0.566 -1.190 0.00 0.00 +0.034 A ATOM 22 C LIG 1 1.274 0.644 -0.736 0.00 0.00 +0.025 A ATOM 23 C LIG 1 2.610 0.981 -0.982 0.00 0.00 +0.030 A ATOM 24 C LIG 1 3.427 0.094 -1.681 0.00 0.00 +0.106 A ATOM 25 C LIG 1 2.921 -1.119 -2.143 0.00 0.00 +0.030 A ATOM 26 C LIG 1 1.584 -1.441 -1.892 0.00 0.00 +0.025 A BRANCH 24 27 ATOM 27 S LIG 1 5.122 0.528 -1.971 0.00 0.00 +0.061 S ATOM 28 O LIG 1 5.132 1.827 -2.606 0.00 0.00 -0.153 OA ATOM 29 O LIG 1 5.798 -0.607 -2.567 0.00 0.00 -0.153 OA BRANCH 27 30 ATOM 30 N LIG 1 5.744 0.700 -0.386 0.00 0.00 -0.176 NA ATOM 31 C LIG 1 7.005 1.491 -0.335 0.00 0.00 +0.112 C ATOM 32 C LIG 1 7.582 1.488 1.074 0.00 0.00 +0.048 C ATOM 33 C LIG 1 7.917 0.069 1.534 0.00 0.00 +0.117 C ATOM 34 C LIG 1 7.145 -1.003 0.769 0.00 0.00 +0.048 C ATOM 35 C LIG 1 5.735 -0.530 0.458 0.00 0.00 +0.112 C BRANCH 33 36 ATOM 36 O LIG 1 9.317 -0.175 1.408 0.00 0.00 -0.392 OA ATOM 37 H LIG 1 9.551 -0.159 0.464 0.00 0.00 +0.210 HD ENDBRANCH 33 36 ENDBRANCH 27 30 ENDBRANCH 24 27 ENDBRANCH 1 21 TORSDOF 5