REMARK Name = BDB015997 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.971 -0.505 -0.056 0.00 0.00 +0.162 A ATOM 2 N LIG 1 0.633 -0.646 -0.103 0.00 0.00 -0.212 NA ATOM 3 C LIG 1 0.115 -1.887 -0.196 0.00 0.00 +0.131 A ATOM 4 C LIG 1 0.938 -3.010 -0.285 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.297 -2.757 -0.230 0.00 0.00 +0.125 A ATOM 6 N LIG 1 2.838 -1.529 -0.112 0.00 0.00 -0.235 NA ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 4.424 2.413 0.171 0.00 0.00 -0.014 A ATOM 8 C LIG 1 3.896 1.117 0.036 0.00 0.00 +0.020 A ATOM 9 C LIG 1 2.510 0.863 0.084 0.00 0.00 +0.020 A ATOM 10 C LIG 1 1.660 1.969 0.275 0.00 0.00 +0.011 A ATOM 11 C LIG 1 2.166 3.262 0.415 0.00 0.00 +0.001 A ATOM 12 C LIG 1 3.542 3.482 0.363 0.00 0.00 +0.008 A BRANCH 7 17 ATOM 13 C LIG 1 8.895 4.469 -0.517 0.00 0.00 +0.172 C ATOM 14 N LIG 1 7.830 3.551 -0.195 0.00 0.00 -0.274 N ATOM 15 N LIG 1 8.132 2.316 0.243 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 6.936 1.753 0.432 0.00 0.00 +0.142 A ATOM 17 C LIG 1 5.862 2.622 0.121 0.00 0.00 +0.020 A ATOM 18 C LIG 1 6.488 3.783 -0.287 0.00 0.00 +0.116 A ENDBRANCH 7 17 ENDBRANCH 1 9 BRANCH 4 19 ATOM 19 C LIG 1 0.462 -4.373 -0.404 0.00 0.00 +0.024 A ATOM 20 C LIG 1 -0.468 -4.814 -1.323 0.00 0.00 +0.116 A ATOM 21 N LIG 1 -0.605 -6.155 -1.115 0.00 0.00 -0.274 N ATOM 22 C LIG 1 -1.465 -7.063 -1.834 0.00 0.00 +0.172 C ATOM 23 N LIG 1 0.175 -6.624 -0.124 0.00 0.00 -0.179 NA ATOM 24 C LIG 1 0.833 -5.542 0.299 0.00 0.00 +0.143 A ENDBRANCH 4 19 BRANCH 3 25 ATOM 25 N LIG 1 -1.287 -2.022 -0.243 0.00 0.00 -0.325 N ATOM 26 H LIG 1 -1.570 -2.797 0.351 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 -2.078 -0.804 -0.052 0.00 0.00 +0.078 C ATOM 28 C LIG 1 -3.526 -1.018 -0.542 0.00 0.00 +0.011 C ATOM 29 C LIG 1 -4.311 0.317 -0.496 0.00 0.00 +0.025 C ATOM 30 C LIG 1 -3.566 1.461 0.214 0.00 0.00 +0.077 C ATOM 31 C LIG 1 -2.889 1.014 1.519 0.00 0.00 +0.025 C ATOM 32 C LIG 1 -4.245 -2.097 0.295 0.00 0.00 +0.005 C ATOM 33 C LIG 1 -4.234 -1.795 1.792 0.00 0.00 +0.001 C ATOM 34 C LIG 1 -2.847 -1.405 2.301 0.00 0.00 +0.005 C ATOM 35 C LIG 1 -2.153 -0.346 1.419 0.00 0.00 +0.011 C BRANCH 30 36 ATOM 36 N LIG 1 -4.529 2.538 0.492 0.00 0.00 -0.192 NA ATOM 37 H LIG 1 -5.234 2.378 1.213 0.00 0.00 +0.148 HD BRANCH 36 38 ATOM 38 S LIG 1 -4.032 4.138 0.424 0.00 0.00 +0.027 S ATOM 39 O LIG 1 -5.029 4.887 1.157 0.00 0.00 -0.158 OA ATOM 40 O LIG 1 -2.629 4.202 0.763 0.00 0.00 -0.158 OA ATOM 41 C LIG 1 -4.231 4.498 -1.307 0.00 0.00 +0.214 C ENDBRANCH 36 38 ENDBRANCH 30 36 ENDBRANCH 25 27 ENDBRANCH 3 25 TORSDOF 7