REMARK Name = BDB030240 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.425 -0.001 -0.584 0.00 0.00 +0.047 C ATOM 2 C LIG 1 1.325 -0.898 -1.112 0.00 0.00 +0.021 C ATOM 3 C LIG 1 -0.070 -0.807 -0.581 0.00 0.00 +0.112 C ATOM 4 N LIG 1 -0.508 0.537 -0.946 0.00 0.00 -0.296 N ATOM 5 C LIG 1 -1.732 1.121 -0.657 0.00 0.00 +0.266 C ATOM 6 O LIG 1 -1.989 2.263 -1.046 0.00 0.00 -0.268 OA ATOM 7 C LIG 1 0.451 1.257 -1.766 0.00 0.00 +0.112 C ATOM 8 C LIG 1 1.647 0.364 -1.831 0.00 0.00 +0.021 C ENDROOT BRANCH 1 13 ATOM 9 C LIG 1 7.193 -0.307 -1.794 0.00 0.00 +0.058 C ATOM 10 C LIG 1 6.085 -0.300 -0.746 0.00 0.00 +0.138 C ATOM 11 O LIG 1 5.609 -1.651 -0.580 0.00 0.00 -0.387 OA ATOM 12 N LIG 1 4.210 -1.602 -0.352 0.00 0.00 -0.093 NA ATOM 13 C LIG 1 3.828 -0.419 -0.694 0.00 0.00 +0.065 C ATOM 14 C LIG 1 4.872 0.489 -1.211 0.00 0.00 +0.104 C ATOM 15 C LIG 1 6.620 0.193 0.600 0.00 0.00 +0.058 C ENDBRANCH 1 13 BRANCH 5 16 ATOM 16 C LIG 1 -2.724 0.360 0.121 0.00 0.00 +0.143 A ATOM 17 N LIG 1 -2.580 -0.945 0.586 0.00 0.00 -0.231 NA ATOM 18 C LIG 1 -3.698 -1.226 1.221 0.00 0.00 +0.200 A ATOM 19 N LIG 1 -4.548 -0.166 1.191 0.00 0.00 -0.330 N ATOM 20 C LIG 1 -3.968 0.846 0.497 0.00 0.00 +0.120 A BRANCH 19 21 ATOM 21 C LIG 1 -5.912 -0.134 1.784 0.00 0.00 +0.044 C ATOM 22 C LIG 1 -6.096 -0.414 3.267 0.00 0.00 +0.030 C ATOM 23 C LIG 1 -6.286 0.979 2.750 0.00 0.00 +0.030 C ATOM 24 C LIG 1 -6.995 -0.625 0.851 0.00 0.00 +0.034 C ENDBRANCH 19 21 ENDBRANCH 5 16 TORSDOF 3