REMARK Name = BDB065384 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.111 1.195 -2.227 0.00 0.00 -0.251 N ATOM 2 N LIG 1 0.340 2.043 -1.213 0.00 0.00 -0.065 NA ATOM 3 N LIG 1 -0.611 1.843 -0.310 0.00 0.00 -0.130 NA ATOM 4 C LIG 1 -1.452 0.861 -0.775 0.00 0.00 +0.113 A ATOM 5 C LIG 1 -1.004 0.440 -2.008 0.00 0.00 +0.138 A ENDROOT BRANCH 4 6 ATOM 6 C LIG 1 -2.614 0.382 -0.045 0.00 0.00 +0.004 A ATOM 7 C LIG 1 -2.945 0.966 1.187 0.00 0.00 +0.010 A ATOM 8 C LIG 1 -4.057 0.530 1.915 0.00 0.00 +0.006 A ATOM 9 C LIG 1 -4.863 -0.505 1.428 0.00 0.00 -0.028 A ATOM 10 C LIG 1 -4.537 -1.090 0.197 0.00 0.00 +0.006 A ATOM 11 C LIG 1 -3.425 -0.651 -0.530 0.00 0.00 +0.010 A BRANCH 9 12 ATOM 12 C LIG 1 -6.079 -0.970 2.198 0.00 0.00 +0.163 C BRANCH 12 13 ATOM 13 N LIG 1 -7.310 -0.441 1.639 0.00 0.00 -0.278 N ATOM 14 C LIG 1 -8.069 -1.195 0.780 0.00 0.00 +0.353 A ATOM 15 O LIG 1 -7.740 -2.339 0.473 0.00 0.00 -0.244 OA ATOM 16 N LIG 1 -9.211 -0.641 0.281 0.00 0.00 -0.159 NA ATOM 17 C LIG 1 -9.534 0.559 0.617 0.00 0.00 +0.218 A ATOM 18 N LIG 1 -8.819 1.320 1.481 0.00 0.00 -0.205 NA ATOM 19 C LIG 1 -7.740 0.806 1.946 0.00 0.00 +0.207 A BRANCH 17 20 ATOM 20 N LIG 1 -10.664 1.110 0.115 0.00 0.00 -0.327 N ATOM 21 H LIG 1 -11.055 1.827 0.709 0.00 0.00 +0.145 HD ATOM 22 H LIG 1 -11.327 0.419 -0.212 0.00 0.00 +0.145 HD ENDBRANCH 17 20 ENDBRANCH 12 13 ENDBRANCH 9 12 ENDBRANCH 4 6 BRANCH 1 23 ATOM 23 C LIG 1 0.982 1.175 -3.380 0.00 0.00 +0.145 C BRANCH 23 24 ATOM 24 C LIG 1 1.990 0.026 -3.363 0.00 0.00 +0.024 C BRANCH 24 25 ATOM 25 C LIG 1 3.051 0.176 -2.268 0.00 0.00 +0.006 C BRANCH 25 26 ATOM 26 C LIG 1 4.071 -0.964 -2.326 0.00 0.00 +0.035 C BRANCH 26 30 ATOM 27 C LIG 1 7.095 -0.521 0.731 0.00 0.00 +0.059 A ATOM 28 C LIG 1 5.884 -1.162 1.020 0.00 0.00 +0.015 A ATOM 29 C LIG 1 4.909 -1.308 0.030 0.00 0.00 +0.004 A ATOM 30 C LIG 1 5.132 -0.820 -1.264 0.00 0.00 -0.047 A ATOM 31 C LIG 1 6.341 -0.173 -1.549 0.00 0.00 +0.004 A ATOM 32 C LIG 1 7.318 -0.025 -0.560 0.00 0.00 +0.015 A BRANCH 27 33 ATOM 33 C LIG 1 8.100 -0.393 1.822 0.00 0.00 +0.339 C ATOM 34 O LIG 1 7.935 -0.836 2.948 0.00 0.00 -0.245 OA BRANCH 33 36 ATOM 35 C LIG 1 10.210 0.436 2.382 0.00 0.00 +0.280 C ATOM 36 O LIG 1 9.200 0.272 1.386 0.00 0.00 -0.464 OA ENDBRANCH 33 36 ENDBRANCH 27 33 ENDBRANCH 26 30 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 1 23 TORSDOF 11