REMARK Name = BDB015730 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.262 0.606 -0.460 0.00 0.00 +0.127 A ATOM 2 N LIG 1 -1.229 -0.129 0.095 0.00 0.00 -0.180 NA ATOM 3 C LIG 1 -2.443 0.432 0.219 0.00 0.00 +0.326 A ATOM 4 N LIG 1 -2.773 1.662 -0.190 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 -1.777 2.400 -0.713 0.00 0.00 +0.081 A ATOM 6 C LIG 1 -0.497 1.903 -0.870 0.00 0.00 +0.072 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -2.121 3.784 -1.135 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -3.349 4.021 -1.635 0.00 0.00 +0.098 A ATOM 9 N LIG 1 -3.749 5.280 -2.062 0.00 0.00 -0.318 N ATOM 10 C LIG 1 -5.094 5.434 -2.594 0.00 0.00 +0.152 C ATOM 11 C LIG 1 -2.911 6.389 -2.001 0.00 0.00 +0.251 A ATOM 12 O LIG 1 -3.200 7.520 -2.379 0.00 0.00 -0.268 OA ATOM 13 C LIG 1 -1.566 6.143 -1.420 0.00 0.00 +0.071 A ATOM 14 C LIG 1 -1.213 4.916 -1.016 0.00 0.00 +0.017 A ENDBRANCH 5 7 BRANCH 1 15 ATOM 15 N LIG 1 1.034 0.098 -0.570 0.00 0.00 -0.322 N ATOM 16 H LIG 1 1.446 0.289 -1.476 0.00 0.00 +0.148 HD BRANCH 15 17 ATOM 17 C LIG 1 1.265 -1.284 -0.137 0.00 0.00 +0.099 C ATOM 18 C LIG 1 0.736 -2.282 -1.175 0.00 0.00 +0.033 C BRANCH 17 22 ATOM 19 C LIG 1 5.523 -1.576 0.736 0.00 0.00 -0.048 A ATOM 20 C LIG 1 4.614 -1.117 1.694 0.00 0.00 +0.004 A ATOM 21 C LIG 1 3.252 -1.032 1.394 0.00 0.00 +0.006 A ATOM 22 C LIG 1 2.760 -1.418 0.136 0.00 0.00 -0.028 A ATOM 23 C LIG 1 3.680 -1.868 -0.823 0.00 0.00 +0.006 A ATOM 24 C LIG 1 5.043 -1.954 -0.523 0.00 0.00 +0.004 A BRANCH 19 26 ATOM 25 C LIG 1 7.340 -3.046 1.643 0.00 0.00 +0.009 C ATOM 26 C LIG 1 6.990 -1.685 1.063 0.00 0.00 +0.032 C ENDBRANCH 19 26 ENDBRANCH 17 22 ENDBRANCH 15 17 ENDBRANCH 1 15 BRANCH 3 27 ATOM 27 O LIG 1 -3.495 -0.316 0.735 0.00 0.00 -0.420 OA BRANCH 27 28 ATOM 28 C LIG 1 -3.140 -1.471 1.390 0.00 0.00 +0.170 A ATOM 29 C LIG 1 -2.562 -1.405 2.660 0.00 0.00 +0.166 A ATOM 30 F LIG 1 -2.337 -0.218 3.242 0.00 0.00 -0.202 F ATOM 31 C LIG 1 -2.216 -2.566 3.343 0.00 0.00 +0.042 A ATOM 32 C LIG 1 -2.459 -3.806 2.756 0.00 0.00 +0.003 A ATOM 33 C LIG 1 -3.056 -3.880 1.493 0.00 0.00 +0.007 A ATOM 34 C LIG 1 -3.416 -2.714 0.801 0.00 0.00 -0.005 A ATOM 35 C LIG 1 -4.044 -2.802 -0.559 0.00 0.00 +0.047 C ENDBRANCH 27 28 ENDBRANCH 3 27 TORSDOF 7