REMARK Name = BDB024868 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.100 4.625 0.672 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.772 3.382 1.244 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.635 2.836 2.311 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.186 3.337 3.689 0.00 0.00 +0.028 C ATOM 5 C LIG 1 5.743 1.317 2.234 0.00 0.00 +0.027 C ATOM 6 C LIG 1 4.380 0.677 2.350 0.00 0.00 +0.041 C ATOM 7 C LIG 1 3.402 1.308 1.402 0.00 0.00 +0.002 A ATOM 8 C LIG 1 2.237 0.592 1.039 0.00 0.00 +0.094 A ATOM 9 N LIG 1 1.841 -0.674 1.412 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 0.669 -0.876 0.842 0.00 0.00 +0.113 A ATOM 11 N LIG 1 0.328 0.199 0.048 0.00 0.00 -0.319 N ATOM 12 C LIG 1 1.299 1.163 0.194 0.00 0.00 +0.070 A ATOM 13 C LIG 1 1.441 2.451 -0.316 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.594 3.158 0.052 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.590 2.623 0.888 0.00 0.00 +0.045 A ATOM 16 O LIG 1 4.557 5.164 -0.288 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 6.548 6.480 0.762 0.00 0.00 +0.282 C ATOM 18 O LIG 1 6.158 5.221 1.307 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 -0.796 0.274 -0.876 0.00 0.00 +0.219 C BRANCH 19 20 ATOM 20 C LIG 1 -2.119 0.586 -0.205 0.00 0.00 +0.235 C ATOM 21 N LIG 1 -3.220 0.576 -1.029 0.00 0.00 -0.298 N ATOM 22 C LIG 1 -3.262 0.277 -2.458 0.00 0.00 +0.130 C ATOM 23 C LIG 1 -4.735 -0.033 -2.737 0.00 0.00 +0.092 C ATOM 24 C LIG 1 -5.448 0.879 -1.734 0.00 0.00 +0.043 C ATOM 25 C LIG 1 -4.553 0.815 -0.504 0.00 0.00 +0.110 C ATOM 26 O LIG 1 -2.221 0.844 0.993 0.00 0.00 -0.274 OA BRANCH 23 27 ATOM 27 N LIG 1 -5.040 -1.439 -2.506 0.00 0.00 -0.311 N ATOM 28 H LIG 1 -4.417 -1.975 -1.907 0.00 0.00 +0.149 HD ATOM 29 C LIG 1 -6.247 -1.972 -2.894 0.00 0.00 +0.210 C ATOM 30 O LIG 1 -7.108 -1.322 -3.476 0.00 0.00 -0.276 OA ATOM 31 C LIG 1 -6.435 -3.414 -2.511 0.00 0.00 +0.109 C ENDBRANCH 23 27 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 32 ATOM 32 C LIG 1 -0.193 -2.079 1.050 0.00 0.00 +0.096 C BRANCH 32 33 ATOM 33 C LIG 1 0.007 -3.128 -0.041 0.00 0.00 +0.132 C BRANCH 33 34 ATOM 34 N LIG 1 -0.996 -4.190 0.026 0.00 0.00 -0.315 N ATOM 35 C LIG 1 -2.260 -3.959 -0.517 0.00 0.00 +0.251 A ATOM 36 O LIG 1 -2.620 -2.914 -1.062 0.00 0.00 -0.268 OA ATOM 37 C LIG 1 -3.225 -5.089 -0.416 0.00 0.00 +0.070 A ATOM 38 C LIG 1 -2.865 -6.236 0.171 0.00 0.00 +0.007 A ATOM 39 C LIG 1 -1.558 -6.376 0.761 0.00 0.00 +0.018 A ATOM 40 C LIG 1 -0.680 -5.374 0.675 0.00 0.00 +0.089 A ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 10 32 TORSDOF 7