REMARK Name = BDB008376 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.222 -0.711 -0.271 0.00 0.00 +0.143 A ATOM 2 C LIG 1 -0.759 0.550 0.053 0.00 0.00 +0.077 A ATOM 3 C LIG 1 0.106 1.585 0.405 0.00 0.00 +0.037 A ATOM 4 C LIG 1 1.495 1.372 0.439 0.00 0.00 +0.002 A ATOM 5 C LIG 1 2.034 0.113 0.123 0.00 0.00 +0.077 A ATOM 6 N LIG 1 3.358 -0.134 0.143 0.00 0.00 -0.232 NA ATOM 7 C LIG 1 4.210 0.849 0.499 0.00 0.00 +0.119 A ATOM 8 C LIG 1 3.755 2.127 0.800 0.00 0.00 +0.044 A ATOM 9 C LIG 1 2.389 2.390 0.778 0.00 0.00 +0.013 A ATOM 10 C LIG 1 1.163 -0.908 -0.229 0.00 0.00 +0.076 A ENDROOT BRANCH 2 11 ATOM 11 N LIG 1 -2.163 0.685 -0.004 0.00 0.00 -0.278 N ATOM 12 H LIG 1 -2.652 -0.167 -0.284 0.00 0.00 +0.155 HD ATOM 13 C LIG 1 -2.938 1.793 0.265 0.00 0.00 +0.251 C ATOM 14 O LIG 1 -2.509 2.888 0.616 0.00 0.00 -0.270 OA BRANCH 13 15 ATOM 15 C LIG 1 -4.382 1.581 0.101 0.00 0.00 +0.070 A ATOM 16 C LIG 1 -5.061 0.378 -0.297 0.00 0.00 +0.093 A ATOM 17 C LIG 1 -6.443 0.536 -0.349 0.00 0.00 +0.056 A ATOM 18 C LIG 1 -7.229 -0.545 -0.718 0.00 0.00 +0.129 A ATOM 19 N LIG 1 -6.640 -1.720 -1.017 0.00 0.00 -0.243 NA ATOM 20 C LIG 1 -5.303 -1.786 -0.942 0.00 0.00 +0.221 A ATOM 21 S LIG 1 -6.912 2.124 0.079 0.00 0.00 -0.093 S ATOM 22 N LIG 1 -4.459 -0.806 -0.597 0.00 0.00 -0.234 NA ATOM 23 C LIG 1 -5.293 2.599 0.332 0.00 0.00 +0.061 A ENDBRANCH 13 15 ENDBRANCH 2 11 BRANCH 1 25 ATOM 24 C LIG 1 -0.633 -2.944 -1.011 0.00 0.00 +0.277 C ATOM 25 O LIG 1 -1.141 -1.677 -0.611 0.00 0.00 -0.493 OA ENDBRANCH 1 25 BRANCH 7 26 ATOM 26 N LIG 1 5.593 0.622 0.502 0.00 0.00 -0.327 N ATOM 27 H LIG 1 5.978 1.015 1.358 0.00 0.00 +0.148 HD BRANCH 26 28 ATOM 28 C LIG 1 6.057 -0.760 0.309 0.00 0.00 +0.130 C BRANCH 28 29 ATOM 29 C LIG 1 6.045 -1.184 -1.168 0.00 0.00 +0.174 C BRANCH 29 30 ATOM 30 O LIG 1 4.775 -1.692 -1.571 0.00 0.00 -0.393 OA ATOM 31 H LIG 1 4.117 -1.102 -1.142 0.00 0.00 +0.209 HD ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 7 26 TORSDOF 7