REMARK Name = BDB032173 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.112 -2.096 1.163 0.00 0.00 +0.126 A ATOM 2 C LIG 1 -3.953 -1.125 0.651 0.00 0.00 +0.024 A ATOM 3 C LIG 1 -5.332 -0.747 1.074 0.00 0.00 +0.148 C ATOM 4 N LIG 1 -5.631 0.393 0.215 0.00 0.00 -0.281 N ATOM 5 C LIG 1 -4.648 0.590 -0.742 0.00 0.00 +0.248 C ATOM 6 O LIG 1 -4.649 1.359 -1.683 0.00 0.00 -0.270 OA ATOM 7 C LIG 1 -3.559 -0.342 -0.431 0.00 0.00 +0.045 A ATOM 8 C LIG 1 -2.335 -0.485 -1.053 0.00 0.00 +0.020 A ATOM 9 C LIG 1 -1.468 -1.467 -0.558 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -1.860 -2.258 0.554 0.00 0.00 +0.053 A ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -6.975 0.954 0.143 0.00 0.00 +0.163 C ATOM 12 C LIG 1 -7.820 0.240 -0.924 0.00 0.00 +0.240 C ATOM 13 O LIG 1 -7.671 -0.942 -1.231 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 -8.859 0.970 -1.456 0.00 0.00 -0.255 N ATOM 15 H LIG 1 -9.433 0.488 -2.134 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 -9.263 2.236 -1.115 0.00 0.00 +0.219 C ATOM 17 O LIG 1 -10.289 2.720 -1.585 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 -8.438 2.955 -0.074 0.00 0.00 +0.098 C ATOM 19 C LIG 1 -6.998 2.466 -0.078 0.00 0.00 +0.041 C ENDBRANCH 4 11 BRANCH 1 21 ATOM 20 C LIG 1 -2.768 -3.843 2.733 0.00 0.00 +0.277 C ATOM 21 O LIG 1 -3.593 -2.802 2.225 0.00 0.00 -0.495 OA ENDBRANCH 1 21 BRANCH 9 22 ATOM 22 C LIG 1 -0.104 -1.657 -1.175 0.00 0.00 +0.269 C BRANCH 22 23 ATOM 23 O LIG 1 0.821 -0.868 -0.423 0.00 0.00 -0.445 OA BRANCH 23 24 ATOM 24 C LIG 1 2.108 -0.990 -0.838 0.00 0.00 +0.405 C ATOM 25 N LIG 1 2.880 -0.181 -0.056 0.00 0.00 -0.250 N ATOM 26 H LIG 1 2.354 0.330 0.640 0.00 0.00 +0.158 HD ATOM 27 O LIG 1 2.462 -1.714 -1.755 0.00 0.00 -0.226 OA BRANCH 25 28 ATOM 28 C LIG 1 4.271 0.014 -0.116 0.00 0.00 +0.055 A ATOM 29 C LIG 1 4.864 0.894 0.783 0.00 0.00 +0.134 A ATOM 30 N LIG 1 6.190 1.170 0.833 0.00 0.00 -0.258 NA ATOM 31 C LIG 1 7.002 0.549 -0.056 0.00 0.00 +0.047 A ATOM 32 C LIG 1 6.487 -0.348 -0.993 0.00 0.00 +0.026 A ATOM 33 C LIG 1 5.115 -0.616 -1.021 0.00 0.00 +0.027 A BRANCH 31 34 ATOM 34 C LIG 1 8.502 0.864 0.001 0.00 0.00 +0.004 C ATOM 35 C LIG 1 8.964 1.472 -1.338 0.00 0.00 +0.017 C ATOM 36 C LIG 1 8.827 1.881 1.118 0.00 0.00 +0.017 C ATOM 37 C LIG 1 9.301 -0.422 0.289 0.00 0.00 +0.017 C ENDBRANCH 31 34 ENDBRANCH 25 28 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 9 22 TORSDOF 7