REMARK Name = BDB005107 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.246 -0.397 -1.502 0.00 0.00 -0.029 A ATOM 2 C LIG 1 0.951 0.028 -1.156 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -0.126 -0.870 -1.125 0.00 0.00 +0.034 A ATOM 4 C LIG 1 0.106 -2.211 -1.434 0.00 0.00 +0.023 A ATOM 5 C LIG 1 1.386 -2.644 -1.790 0.00 0.00 +0.002 A ATOM 6 C LIG 1 2.447 -1.742 -1.831 0.00 0.00 +0.005 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -1.394 -0.347 -0.797 0.00 0.00 -0.282 N ATOM 8 H LIG 1 -1.434 0.650 -0.629 0.00 0.00 +0.155 HD ATOM 9 C LIG 1 -2.579 -1.043 -0.657 0.00 0.00 +0.248 C ATOM 10 O LIG 1 -2.723 -2.260 -0.669 0.00 0.00 -0.270 OA BRANCH 9 11 ATOM 11 C LIG 1 -3.771 -0.156 -0.398 0.00 0.00 +0.033 C ATOM 12 C LIG 1 -4.759 -0.583 0.576 0.00 0.00 +0.010 C ATOM 13 C LIG 1 -5.954 0.019 0.693 0.00 0.00 -0.007 C ATOM 14 C LIG 1 -6.357 1.193 -0.170 0.00 0.00 +0.084 C ATOM 15 C LIG 1 -5.132 1.895 -0.834 0.00 0.00 +0.051 C ATOM 16 C LIG 1 -3.946 0.991 -1.081 0.00 0.00 -0.012 C BRANCH 14 17 ATOM 17 N LIG 1 -7.250 2.168 0.479 0.00 0.00 -0.291 NA ATOM 18 C LIG 1 -8.629 1.683 0.689 0.00 0.00 +0.113 C ATOM 19 C LIG 1 -9.007 1.502 2.168 0.00 0.00 +0.175 C ATOM 20 O LIG 1 -8.849 2.693 2.947 0.00 0.00 -0.377 OA ATOM 21 C LIG 1 -7.822 3.561 2.453 0.00 0.00 +0.175 C ATOM 22 C LIG 1 -6.713 2.815 1.691 0.00 0.00 +0.113 C ENDBRANCH 14 17 ENDBRANCH 9 11 ENDBRANCH 3 7 BRANCH 1 23 ATOM 23 C LIG 1 3.398 0.584 -1.526 0.00 0.00 +0.138 C BRANCH 23 24 ATOM 24 N LIG 1 4.357 0.286 -0.467 0.00 0.00 -0.324 N ATOM 25 H LIG 1 3.915 -0.237 0.285 0.00 0.00 +0.148 HD BRANCH 24 29 ATOM 26 C LIG 1 8.669 -1.600 0.715 0.00 0.00 +0.063 A ATOM 27 C LIG 1 7.702 -1.288 -0.264 0.00 0.00 +0.088 A ATOM 28 C LIG 1 6.518 -0.652 0.166 0.00 0.00 +0.041 A ATOM 29 C LIG 1 5.562 -0.351 -0.830 0.00 0.00 +0.130 A ATOM 30 N LIG 1 5.781 -0.617 -2.126 0.00 0.00 -0.220 NA ATOM 31 C LIG 1 6.931 -1.214 -2.434 0.00 0.00 +0.223 A ATOM 32 C LIG 1 6.340 -0.335 1.537 0.00 0.00 +0.013 A ATOM 33 C LIG 1 7.303 -0.653 2.485 0.00 0.00 +0.002 A ATOM 34 N LIG 1 7.889 -1.572 -1.573 0.00 0.00 -0.235 NA ATOM 35 C LIG 1 8.465 -1.287 2.074 0.00 0.00 +0.015 A BRANCH 26 39 ATOM 36 N LIG 1 10.247 -2.585 -0.897 0.00 0.00 -0.325 N ATOM 37 H LIG 1 9.563 -2.417 -1.630 0.00 0.00 +0.145 HD ATOM 38 H LIG 1 11.110 -3.063 -1.114 0.00 0.00 +0.145 HD ATOM 39 C LIG 1 9.973 -2.266 0.400 0.00 0.00 +0.244 C ATOM 40 O LIG 1 10.789 -2.527 1.278 0.00 0.00 -0.270 OA ENDBRANCH 26 39 ENDBRANCH 24 29 ENDBRANCH 23 24 ENDBRANCH 1 23 TORSDOF 7