REMARK Name = BDB007942 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.271 -0.551 -0.244 0.00 0.00 +0.230 C ATOM 2 N LIG 1 -2.393 -1.352 -0.045 0.00 0.00 -0.293 N ATOM 3 O LIG 1 -1.223 0.210 -1.216 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 4 ATOM 4 C LIG 1 -0.141 -0.642 0.804 0.00 0.00 +0.180 C BRANCH 4 8 ATOM 5 C LIG 1 4.037 -0.249 -0.251 0.00 0.00 +0.063 C ATOM 6 C LIG 1 3.421 0.627 0.850 0.00 0.00 +0.027 C ATOM 7 C LIG 1 2.107 0.057 1.385 0.00 0.00 +0.085 C ATOM 8 N LIG 1 1.143 -0.113 0.297 0.00 0.00 -0.294 NA ATOM 9 C LIG 1 1.659 -0.886 -0.843 0.00 0.00 +0.085 C ATOM 10 C LIG 1 3.093 -1.385 -0.667 0.00 0.00 +0.027 C BRANCH 5 11 ATOM 11 C LIG 1 5.375 -0.815 0.221 0.00 0.00 +0.166 C ATOM 12 O LIG 1 5.452 -1.916 0.765 0.00 0.00 -0.292 OA BRANCH 11 16 ATOM 13 C LIG 1 9.043 1.408 -0.248 0.00 0.00 +0.120 A ATOM 14 C LIG 1 7.822 2.036 -0.499 0.00 0.00 +0.046 A ATOM 15 C LIG 1 6.618 1.331 -0.351 0.00 0.00 +0.015 A ATOM 16 C LIG 1 6.625 -0.011 0.045 0.00 0.00 +0.018 A ATOM 17 C LIG 1 7.853 -0.634 0.301 0.00 0.00 +0.015 A ATOM 18 C LIG 1 9.050 0.072 0.154 0.00 0.00 +0.046 A BRANCH 13 20 ATOM 19 C LIG 1 10.332 3.330 -0.793 0.00 0.00 +0.277 C ATOM 20 O LIG 1 10.279 1.980 -0.352 0.00 0.00 -0.495 OA ENDBRANCH 13 20 ENDBRANCH 11 16 ENDBRANCH 5 11 ENDBRANCH 4 8 ENDBRANCH 1 4 BRANCH 2 21 ATOM 21 C LIG 1 -2.682 -2.085 1.184 0.00 0.00 +0.111 C BRANCH 21 22 ATOM 22 C LIG 1 -2.317 -3.530 1.022 0.00 0.00 +0.006 C ATOM 23 C LIG 1 -3.352 -4.556 0.635 0.00 0.00 +0.005 C ATOM 24 C LIG 1 -2.798 -4.541 2.031 0.00 0.00 +0.005 C ENDBRANCH 21 22 ENDBRANCH 2 21 BRANCH 2 25 ATOM 25 C LIG 1 -3.434 -1.347 -1.075 0.00 0.00 +0.182 C BRANCH 25 26 ATOM 26 C LIG 1 -4.387 -0.185 -0.835 0.00 0.00 +0.127 A ATOM 27 N LIG 1 -3.897 1.057 -1.131 0.00 0.00 -0.309 N ATOM 28 H LIG 1 -2.923 1.161 -1.409 0.00 0.00 +0.170 HD ATOM 29 C LIG 1 -4.604 2.194 -0.892 0.00 0.00 +0.255 A ATOM 30 O LIG 1 -4.136 3.315 -1.055 0.00 0.00 -0.268 OA ATOM 31 C LIG 1 -5.986 1.980 -0.406 0.00 0.00 +0.038 A ATOM 32 C LIG 1 -6.854 3.188 -0.213 0.00 0.00 +0.042 C ATOM 33 C LIG 1 -8.329 2.835 -0.018 0.00 0.00 +0.005 C ATOM 34 C LIG 1 -8.488 1.637 0.911 0.00 0.00 +0.006 C ATOM 35 C LIG 1 -7.759 0.412 0.357 0.00 0.00 +0.056 C ATOM 36 C LIG 1 -6.374 0.714 -0.170 0.00 0.00 +0.052 A ATOM 37 N LIG 1 -5.575 -0.389 -0.361 0.00 0.00 -0.237 NA ENDBRANCH 25 26 ENDBRANCH 2 25 TORSDOF 9