REMARK Name = BDB018216 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.598 -0.613 0.731 0.00 0.00 +0.021 A ATOM 2 C LIG 1 0.486 -0.705 -0.117 0.00 0.00 +0.117 A ATOM 3 N LIG 1 1.532 -1.170 0.638 0.00 0.00 -0.264 N ATOM 4 N LIG 1 1.186 -1.413 1.921 0.00 0.00 -0.178 NA ATOM 5 C LIG 1 -0.102 -1.067 1.973 0.00 0.00 +0.143 A ENDROOT BRANCH 1 13 ATOM 6 C LIG 1 -4.896 1.540 2.161 0.00 0.00 +0.049 C ATOM 7 C LIG 1 -4.008 0.894 1.147 0.00 0.00 +0.015 A ATOM 8 C LIG 1 -4.562 0.742 -0.236 0.00 0.00 +0.254 A ATOM 9 O LIG 1 -5.704 1.122 -0.486 0.00 0.00 -0.267 OA ATOM 10 N LIG 1 -3.707 0.162 -1.169 0.00 0.00 -0.317 N ATOM 11 C LIG 1 -4.168 -0.022 -2.536 0.00 0.00 +0.152 C ATOM 12 C LIG 1 -2.431 -0.270 -0.843 0.00 0.00 +0.097 A ATOM 13 C LIG 1 -1.917 -0.155 0.398 0.00 0.00 +0.002 A ATOM 14 C LIG 1 -2.763 0.463 1.410 0.00 0.00 +0.018 A ENDBRANCH 1 13 BRANCH 3 15 ATOM 15 C LIG 1 2.902 -1.454 0.189 0.00 0.00 +0.134 C ATOM 16 C LIG 1 2.932 -2.747 -0.631 0.00 0.00 +0.038 C BRANCH 15 17 ATOM 17 C LIG 1 3.520 -0.228 -0.472 0.00 0.00 -0.023 A ATOM 18 C LIG 1 3.879 0.868 0.336 0.00 0.00 +0.006 A ATOM 19 C LIG 1 4.439 2.018 -0.220 0.00 0.00 +0.000 A ATOM 20 C LIG 1 4.651 2.095 -1.593 0.00 0.00 +0.000 A ATOM 21 C LIG 1 4.300 1.023 -2.410 0.00 0.00 +0.000 A ATOM 22 C LIG 1 3.738 -0.130 -1.855 0.00 0.00 +0.006 A ENDBRANCH 15 17 ENDBRANCH 3 15 TORSDOF 3