REMARK Name = BDB047430 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.591 0.198 1.805 0.00 0.00 +0.121 A ATOM 2 C LIG 1 -0.167 0.248 2.967 0.00 0.00 +0.047 A ATOM 3 C LIG 1 -1.426 -0.372 3.018 0.00 0.00 +0.027 A ATOM 4 C LIG 1 -1.965 -1.056 1.917 0.00 0.00 +0.037 A ATOM 5 C LIG 1 -1.183 -1.089 0.754 0.00 0.00 +0.027 A ATOM 6 C LIG 1 0.075 -0.472 0.700 0.00 0.00 +0.047 A ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 -3.269 -1.666 1.984 0.00 0.00 -0.264 N ATOM 8 C LIG 1 -4.066 -1.863 0.752 0.00 0.00 +0.121 C ATOM 9 C LIG 1 -4.888 -3.161 0.887 0.00 0.00 +0.106 C ATOM 10 N LIG 1 -5.800 -3.198 2.028 0.00 0.00 -0.306 NA ATOM 11 H LIG 1 -5.894 -4.164 2.346 0.00 0.00 +0.122 HD ATOM 12 C LIG 1 -5.359 -2.364 3.161 0.00 0.00 +0.178 C ATOM 13 C LIG 1 -3.859 -2.040 3.208 0.00 0.00 +0.234 C ATOM 14 O LIG 1 -3.273 -2.100 4.291 0.00 0.00 -0.274 OA BRANCH 8 15 ATOM 15 C LIG 1 -4.961 -0.648 0.411 0.00 0.00 +0.184 C BRANCH 15 16 ATOM 16 O LIG 1 -4.197 0.521 0.090 0.00 0.00 -0.373 OA BRANCH 16 17 ATOM 17 C LIG 1 -3.770 0.597 -1.268 0.00 0.00 +0.196 C BRANCH 17 18 ATOM 18 C LIG 1 -4.858 1.117 -2.165 0.00 0.00 -0.004 A ATOM 19 C LIG 1 -5.642 2.203 -1.788 0.00 0.00 +0.116 A ATOM 20 N LIG 1 -6.620 2.737 -2.556 0.00 0.00 -0.263 NA ATOM 21 C LIG 1 -6.824 2.168 -3.762 0.00 0.00 +0.111 A ATOM 22 C LIG 1 -6.093 1.093 -4.238 0.00 0.00 +0.020 A ATOM 23 C LIG 1 -5.092 0.564 -3.427 0.00 0.00 +0.009 A ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 8 15 ENDBRANCH 4 7 BRANCH 1 24 ATOM 24 O LIG 1 1.824 0.753 1.618 0.00 0.00 -0.492 OA BRANCH 24 25 ATOM 25 C LIG 1 2.431 1.383 2.746 0.00 0.00 +0.231 C BRANCH 25 26 ATOM 26 C LIG 1 3.811 1.889 2.341 0.00 0.00 +0.069 C BRANCH 26 27 ATOM 27 C LIG 1 4.736 0.750 1.917 0.00 0.00 +0.163 C BRANCH 27 28 ATOM 28 O LIG 1 6.060 1.242 1.698 0.00 0.00 -0.375 OA BRANCH 28 29 ATOM 29 C LIG 1 6.274 1.724 0.365 0.00 0.00 +0.198 C BRANCH 29 31 ATOM 30 C LIG 1 6.279 0.715 -1.969 0.00 0.00 +0.125 A ATOM 31 C LIG 1 6.614 0.612 -0.605 0.00 0.00 +0.020 A ATOM 32 C LIG 1 7.330 -0.513 -0.160 0.00 0.00 +0.009 A ATOM 33 C LIG 1 7.678 -1.534 -1.042 0.00 0.00 +0.001 A ATOM 34 C LIG 1 7.326 -1.437 -2.383 0.00 0.00 +0.004 A ATOM 35 C LIG 1 6.632 -0.317 -2.847 0.00 0.00 +0.046 A BRANCH 30 37 ATOM 36 C LIG 1 5.268 1.998 -3.711 0.00 0.00 +0.277 C ATOM 37 O LIG 1 5.616 1.857 -2.340 0.00 0.00 -0.495 OA ENDBRANCH 30 37 ENDBRANCH 29 31 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 1 24 TORSDOF 13