REMARK Name = BDB003072 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.209 -2.060 0.650 0.00 0.00 +0.132 A ATOM 2 C LIG 1 -2.391 -2.477 -0.180 0.00 0.00 +0.360 A ATOM 3 O LIG 1 -2.614 -3.672 -0.373 0.00 0.00 -0.243 OA ATOM 4 O LIG 1 -3.196 -1.491 -0.715 0.00 0.00 -0.421 OA ATOM 5 C LIG 1 -3.047 -0.159 -0.305 0.00 0.00 +0.141 A ATOM 6 C LIG 1 -1.995 0.235 0.516 0.00 0.00 +0.040 A ATOM 7 C LIG 1 -1.981 1.567 0.956 0.00 0.00 +0.013 A ATOM 8 C LIG 1 -2.963 2.474 0.542 0.00 0.00 +0.001 A ATOM 9 C LIG 1 -3.984 2.059 -0.310 0.00 0.00 +0.004 A ATOM 10 C LIG 1 -4.032 0.734 -0.733 0.00 0.00 +0.047 A ATOM 11 C LIG 1 -0.975 -0.755 0.911 0.00 0.00 +0.066 A ENDROOT BRANCH 1 12 ATOM 12 N LIG 1 -0.378 -3.101 1.103 0.00 0.00 -0.351 N ATOM 13 H LIG 1 -0.226 -3.030 2.104 0.00 0.00 +0.143 HD ATOM 14 H LIG 1 -0.829 -3.997 0.886 0.00 0.00 +0.143 HD ENDBRANCH 1 12 BRANCH 11 15 ATOM 15 N LIG 1 0.149 -0.294 1.621 0.00 0.00 -0.339 N ATOM 16 H LIG 1 0.440 -1.052 2.240 0.00 0.00 +0.146 HD BRANCH 15 17 ATOM 17 C LIG 1 1.395 0.156 0.950 0.00 0.00 +0.070 C ATOM 18 C LIG 1 1.190 1.249 -0.109 0.00 0.00 +0.022 C ATOM 19 C LIG 1 2.381 1.405 -1.063 0.00 0.00 +0.002 C ATOM 20 C LIG 1 3.681 0.885 -0.466 0.00 0.00 +0.000 C ATOM 21 C LIG 1 3.582 -0.595 -0.096 0.00 0.00 +0.002 C ATOM 22 C LIG 1 2.186 -1.021 0.369 0.00 0.00 +0.022 C ENDBRANCH 15 17 ENDBRANCH 11 15 TORSDOF 3