REMARK Name = BDB049660 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.396 -0.871 0.233 0.00 0.00 -0.278 N ATOM 2 C LIG 1 -2.655 -0.252 0.262 0.00 0.00 +0.307 C ATOM 3 N LIG 1 -2.630 1.124 0.333 0.00 0.00 -0.269 N ATOM 4 H LIG 1 -1.804 1.522 0.748 0.00 0.00 +0.156 HD ATOM 5 O LIG 1 -3.695 -0.907 0.232 0.00 0.00 -0.252 OA ENDROOT BRANCH 1 9 ATOM 6 N LIG 1 2.759 -0.663 0.994 0.00 0.00 -0.302 NA ATOM 7 C LIG 1 2.060 -1.496 0.003 0.00 0.00 +0.086 C ATOM 8 C LIG 1 0.972 -0.753 -0.766 0.00 0.00 +0.038 C ATOM 9 C LIG 1 -0.094 -0.151 0.168 0.00 0.00 +0.080 C ATOM 10 C LIG 1 0.463 0.099 1.580 0.00 0.00 +0.038 C ATOM 11 C LIG 1 1.949 0.444 1.520 0.00 0.00 +0.086 C BRANCH 6 12 ATOM 12 C LIG 1 4.075 -0.218 0.502 0.00 0.00 +0.084 C BRANCH 12 13 ATOM 13 C LIG 1 4.928 0.452 1.589 0.00 0.00 +0.015 C BRANCH 13 15 ATOM 14 C LIG 1 6.460 1.747 0.010 0.00 0.00 +0.004 C ATOM 15 C LIG 1 6.365 0.731 1.137 0.00 0.00 -0.002 C ENDBRANCH 13 15 ENDBRANCH 12 13 ENDBRANCH 6 12 ENDBRANCH 1 9 BRANCH 3 16 ATOM 16 C LIG 1 -3.722 2.006 0.185 0.00 0.00 +0.037 A ATOM 17 C LIG 1 -3.522 3.342 0.555 0.00 0.00 +0.056 A ATOM 18 C LIG 1 -4.565 4.271 0.417 0.00 0.00 +0.128 A ATOM 19 C LIG 1 -5.808 3.883 -0.093 0.00 0.00 +0.033 A ATOM 20 C LIG 1 -6.000 2.557 -0.472 0.00 0.00 +0.004 A ATOM 21 C LIG 1 -4.962 1.627 -0.337 0.00 0.00 +0.023 A BRANCH 18 22 ATOM 22 N LIG 1 -4.345 5.667 0.813 0.00 0.00 +0.056 N ATOM 23 O LIG 1 -5.288 6.460 0.685 0.00 0.00 -0.126 OA ATOM 24 O LIG 1 -3.225 5.971 1.251 0.00 0.00 -0.126 OA ENDBRANCH 18 22 ENDBRANCH 3 16 BRANCH 1 25 ATOM 25 C LIG 1 -1.395 -2.330 0.437 0.00 0.00 +0.144 C BRANCH 25 26 ATOM 26 C LIG 1 -1.271 -3.155 -0.825 0.00 0.00 -0.030 A ATOM 27 C LIG 1 -2.071 -2.904 -1.949 0.00 0.00 +0.005 A ATOM 28 C LIG 1 -1.956 -3.690 -3.098 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -1.049 -4.747 -3.133 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -0.263 -5.024 -2.017 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -0.378 -4.239 -0.868 0.00 0.00 +0.005 A ENDBRANCH 25 26 ENDBRANCH 1 25 TORSDOF 8