REMARK Name = BDB038694 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.112 -0.384 -1.075 0.00 0.00 -0.012 A ATOM 2 C LIG 1 -1.765 -0.736 -0.935 0.00 0.00 +0.052 A ATOM 3 C LIG 1 -0.771 0.220 -1.095 0.00 0.00 +0.129 A ATOM 4 N LIG 1 -1.085 1.482 -1.442 0.00 0.00 -0.236 NA ATOM 5 C LIG 1 -2.373 1.856 -1.631 0.00 0.00 +0.047 A ATOM 6 C LIG 1 -3.401 0.935 -1.441 0.00 0.00 +0.032 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 0.580 -0.108 -0.864 0.00 0.00 -0.248 N ATOM 8 C LIG 1 1.651 0.771 -1.020 0.00 0.00 +0.253 C ATOM 9 O LIG 1 1.710 1.925 -1.402 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 2.857 0.035 -0.614 0.00 0.00 +0.042 A ATOM 11 C LIG 1 2.483 -1.245 -0.221 0.00 0.00 -0.018 A ATOM 12 C LIG 1 3.434 -2.147 0.216 0.00 0.00 +0.006 A ATOM 13 C LIG 1 4.771 -1.733 0.247 0.00 0.00 +0.005 A ATOM 14 C LIG 1 5.152 -0.428 -0.151 0.00 0.00 -0.033 A ATOM 15 C LIG 1 4.170 0.470 -0.594 0.00 0.00 +0.018 A ATOM 16 C LIG 1 1.007 -1.402 -0.356 0.00 0.00 +0.151 C BRANCH 14 17 ATOM 17 C LIG 1 6.609 -0.012 -0.115 0.00 0.00 +0.119 C BRANCH 17 18 ATOM 18 N LIG 1 7.195 -0.150 1.228 0.00 0.00 -0.293 NA ATOM 19 C LIG 1 6.810 0.981 2.106 0.00 0.00 +0.123 C ATOM 20 C LIG 1 8.125 1.706 1.760 0.00 0.00 +0.194 C ATOM 21 F LIG 1 8.822 2.228 2.796 0.00 0.00 -0.243 F ATOM 22 C LIG 1 8.594 0.335 1.236 0.00 0.00 +0.123 C ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 3 7 BRANCH 1 24 ATOM 23 C LIG 1 -4.281 -2.120 0.374 0.00 0.00 +0.028 A ATOM 24 C LIG 1 -4.193 -1.362 -0.822 0.00 0.00 -0.007 A ATOM 25 C LIG 1 -5.174 -1.574 -1.811 0.00 0.00 +0.010 A ATOM 26 C LIG 1 -6.201 -2.506 -1.633 0.00 0.00 +0.019 A ATOM 27 C LIG 1 -6.268 -3.258 -0.460 0.00 0.00 +0.052 A ATOM 28 C LIG 1 -5.308 -3.067 0.536 0.00 0.00 +0.031 A BRANCH 23 31 ATOM 29 C LIG 1 -3.943 0.296 2.348 0.00 0.00 +0.152 C ATOM 30 N LIG 1 -3.158 -0.908 2.294 0.00 0.00 -0.317 N ATOM 31 C LIG 1 -3.309 -1.986 1.458 0.00 0.00 +0.164 A ATOM 32 N LIG 1 -2.393 -2.883 1.774 0.00 0.00 -0.129 NA ATOM 33 N LIG 1 -1.619 -2.376 2.790 0.00 0.00 -0.138 NA ATOM 34 C LIG 1 -2.093 -1.191 3.094 0.00 0.00 +0.225 A ENDBRANCH 23 31 BRANCH 27 35 ATOM 35 C LIG 1 -7.315 -4.221 -0.279 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -8.171 -4.990 -0.133 0.00 0.00 -0.191 NA ENDBRANCH 27 35 ENDBRANCH 1 24 BRANCH 5 37 ATOM 37 C LIG 1 -2.604 3.300 -2.030 0.00 0.00 +0.038 C ATOM 38 C LIG 1 -3.776 4.096 -1.506 0.00 0.00 +0.010 C ATOM 39 C LIG 1 -3.724 3.707 -2.956 0.00 0.00 +0.010 C ENDBRANCH 5 37 TORSDOF 7