REMARK Name = BDB014784 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.065 -0.004 0.372 0.00 0.00 +0.032 A ATOM 2 C LIG 1 0.990 -1.015 0.679 0.00 0.00 +0.024 A ATOM 3 C LIG 1 2.371 -0.792 0.594 0.00 0.00 +0.010 A ATOM 4 C LIG 1 2.878 0.452 0.200 0.00 0.00 -0.018 A ATOM 5 C LIG 1 1.956 1.462 -0.105 0.00 0.00 +0.010 A ATOM 6 C LIG 1 0.574 1.236 -0.020 0.00 0.00 +0.024 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 4.327 0.691 0.109 0.00 0.00 -0.018 A ATOM 8 C LIG 1 5.152 -0.145 -0.666 0.00 0.00 +0.014 A ATOM 9 C LIG 1 6.537 0.071 -0.762 0.00 0.00 -0.019 A ATOM 10 C LIG 1 7.101 1.147 -0.062 0.00 0.00 +0.006 A ATOM 11 C LIG 1 6.302 1.986 0.710 0.00 0.00 +0.001 A ATOM 12 C LIG 1 4.927 1.760 0.793 0.00 0.00 +0.008 A BRANCH 9 13 ATOM 13 C LIG 1 7.394 -0.844 -1.609 0.00 0.00 +0.141 C ATOM 14 C LIG 1 8.338 -1.699 -0.774 0.00 0.00 +0.043 C BRANCH 13 15 ATOM 15 O LIG 1 8.164 -0.076 -2.533 0.00 0.00 -0.387 OA ATOM 16 H LIG 1 7.623 0.693 -2.782 0.00 0.00 +0.210 HD ENDBRANCH 13 15 ENDBRANCH 9 13 ENDBRANCH 4 7 BRANCH 1 17 ATOM 17 N LIG 1 -1.314 -0.293 0.480 0.00 0.00 -0.298 N ATOM 18 H LIG 1 -1.462 -1.247 0.783 0.00 0.00 +0.154 HD BRANCH 17 24 ATOM 19 C LIG 1 -7.691 -2.900 0.948 0.00 0.00 +0.109 C ATOM 20 C LIG 1 -6.192 -2.754 0.962 0.00 0.00 +0.213 C ATOM 21 N LIG 1 -5.672 -1.472 0.823 0.00 0.00 -0.297 N ATOM 22 C LIG 1 -4.205 -1.363 0.937 0.00 0.00 +0.148 C ATOM 23 C LIG 1 -3.730 -0.048 0.432 0.00 0.00 +0.032 A ATOM 24 C LIG 1 -2.417 0.455 0.226 0.00 0.00 +0.150 A ATOM 25 N LIG 1 -2.468 1.713 -0.229 0.00 0.00 -0.156 NA ATOM 26 N LIG 1 -3.776 2.002 -0.335 0.00 0.00 -0.269 N ATOM 27 C LIG 1 -4.168 3.298 -0.832 0.00 0.00 +0.172 C ATOM 28 C LIG 1 -4.572 0.982 0.073 0.00 0.00 +0.047 A ATOM 29 C LIG 1 -6.050 0.921 0.119 0.00 0.00 +0.074 C ATOM 30 C LIG 1 -6.467 -0.243 1.044 0.00 0.00 +0.114 C ATOM 31 O LIG 1 -5.474 -3.747 1.083 0.00 0.00 -0.276 OA ENDBRANCH 17 24 ENDBRANCH 1 17 TORSDOF 5