REMARK Name = BDB019875 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.964 1.513 -0.165 0.00 0.00 -0.017 A ATOM 2 C LIG 1 -0.735 1.357 -0.826 0.00 0.00 +0.021 A ATOM 3 C LIG 1 0.205 0.405 -0.403 0.00 0.00 +0.038 A ATOM 4 C LIG 1 -0.091 -0.429 0.682 0.00 0.00 +0.018 A ATOM 5 C LIG 1 -1.306 -0.293 1.366 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -2.226 0.679 0.935 0.00 0.00 +0.014 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 -5.199 3.142 -1.200 0.00 0.00 +0.215 A ATOM 8 N LIG 1 -4.851 4.414 -1.480 0.00 0.00 -0.221 NA ATOM 9 C LIG 1 -3.549 4.726 -1.326 0.00 0.00 +0.115 A ATOM 10 C LIG 1 -2.580 3.827 -0.905 0.00 0.00 +0.028 A ATOM 11 C LIG 1 -2.953 2.509 -0.616 0.00 0.00 -0.011 A ATOM 12 C LIG 1 -4.303 2.172 -0.772 0.00 0.00 +0.075 A BRANCH 7 14 ATOM 13 C LIG 1 -7.372 3.785 -1.776 0.00 0.00 +0.279 C ATOM 14 O LIG 1 -6.513 2.739 -1.336 0.00 0.00 -0.480 OA ENDBRANCH 7 14 ENDBRANCH 1 11 BRANCH 3 15 ATOM 15 C LIG 1 1.485 0.294 -1.158 0.00 0.00 +0.245 C ATOM 16 N LIG 1 2.553 -0.222 -0.470 0.00 0.00 -0.303 N ATOM 17 H LIG 1 2.528 -0.339 0.535 0.00 0.00 +0.150 HD ATOM 18 O LIG 1 1.551 0.683 -2.319 0.00 0.00 -0.270 OA BRANCH 16 19 ATOM 19 C LIG 1 3.882 -0.335 -1.044 0.00 0.00 +0.125 C BRANCH 19 20 ATOM 20 C LIG 1 4.934 -0.079 0.034 0.00 0.00 +0.062 A ATOM 21 N LIG 1 4.581 -0.323 1.330 0.00 0.00 -0.258 NA ATOM 22 C LIG 1 5.521 -0.101 2.274 0.00 0.00 +0.111 A ATOM 23 C LIG 1 6.803 0.345 2.001 0.00 0.00 +0.023 A ATOM 24 C LIG 1 7.164 0.574 0.673 0.00 0.00 -0.047 A ATOM 25 C LIG 1 8.529 1.088 0.327 0.00 0.00 +0.044 C ATOM 26 C LIG 1 6.207 0.368 -0.324 0.00 0.00 +0.028 A ENDBRANCH 19 20 BRANCH 19 27 ATOM 27 C LIG 1 4.051 -1.735 -1.583 0.00 0.00 +0.015 C ATOM 28 C LIG 1 3.455 -2.125 -2.916 0.00 0.00 +0.006 C ATOM 29 C LIG 1 4.946 -2.013 -2.768 0.00 0.00 +0.006 C ENDBRANCH 19 27 ENDBRANCH 16 19 ENDBRANCH 3 15 BRANCH 5 30 ATOM 30 C LIG 1 -1.653 -1.204 2.525 0.00 0.00 +0.159 C BRANCH 30 31 ATOM 31 N LIG 1 -2.550 -2.260 2.107 0.00 0.00 -0.313 N ATOM 32 C LIG 1 -3.938 -2.192 2.244 0.00 0.00 +0.204 A ATOM 33 N LIG 1 -4.611 -1.246 2.795 0.00 0.00 -0.268 NA ATOM 34 H LIG 1 -5.604 -1.473 2.745 0.00 0.00 +0.190 HD ATOM 35 N LIG 1 -4.403 -3.367 1.641 0.00 0.00 -0.320 N ATOM 36 C LIG 1 -5.790 -3.688 1.420 0.00 0.00 +0.152 C ATOM 37 C LIG 1 -3.327 -4.078 1.123 0.00 0.00 +0.106 A ATOM 38 C LIG 1 -2.202 -3.409 1.411 0.00 0.00 +0.107 A ENDBRANCH 30 31 ENDBRANCH 5 30 TORSDOF 8