REMARK Name = BDB053608 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.004 1.377 0.152 0.00 0.00 +0.099 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.422 1.569 -0.484 0.00 0.00 +0.043 C ATOM 3 C LIG 1 0.927 0.340 -1.256 0.00 0.00 +0.114 C ATOM 4 N LIG 1 2.302 0.559 -1.723 0.00 0.00 -0.301 N ATOM 5 C LIG 1 3.380 -0.305 -1.555 0.00 0.00 +0.219 C ATOM 6 O LIG 1 4.489 -0.039 -2.023 0.00 0.00 -0.275 OA ATOM 7 C LIG 1 2.562 1.804 -2.441 0.00 0.00 +0.108 C ATOM 8 C LIG 1 1.313 2.652 -2.644 0.00 0.00 +0.019 C ATOM 9 C LIG 1 0.559 2.864 -1.333 0.00 0.00 +0.010 C BRANCH 5 10 ATOM 10 C LIG 1 3.162 -1.570 -0.726 0.00 0.00 +0.077 C ATOM 11 C LIG 1 3.079 -1.214 0.772 0.00 0.00 +0.031 C ATOM 12 C LIG 1 4.025 -2.188 1.473 0.00 0.00 +0.051 C ATOM 13 C LIG 1 5.124 -2.408 0.445 0.00 0.00 +0.019 C ATOM 14 C LIG 1 4.330 -2.569 -0.844 0.00 0.00 +0.014 C BRANCH 12 15 ATOM 15 N LIG 1 4.522 -1.690 2.744 0.00 0.00 -0.327 NA ATOM 16 H LIG 1 3.740 -1.408 3.334 0.00 0.00 +0.118 HD ATOM 17 H LIG 1 5.079 -0.849 2.594 0.00 0.00 +0.118 HD ENDBRANCH 12 15 ENDBRANCH 5 10 ENDBRANCH 1 2 BRANCH 1 18 ATOM 18 C LIG 1 -0.917 0.357 1.313 0.00 0.00 +0.026 A ATOM 19 C LIG 1 -1.367 -0.979 1.275 0.00 0.00 +0.134 A ATOM 20 C LIG 1 -1.316 -1.786 2.426 0.00 0.00 +0.046 A ATOM 21 C LIG 1 -0.730 -1.321 3.600 0.00 0.00 +0.004 A ATOM 22 C LIG 1 -0.207 -0.037 3.640 0.00 0.00 +0.001 A ATOM 23 C LIG 1 -0.302 0.786 2.517 0.00 0.00 +0.010 A BRANCH 19 24 ATOM 24 O LIG 1 -1.938 -1.466 0.122 0.00 0.00 -0.456 OA BRANCH 24 25 ATOM 25 C LIG 1 -1.647 -2.739 -0.313 0.00 0.00 +0.128 A ATOM 26 C LIG 1 -0.409 -3.366 -0.154 0.00 0.00 +0.046 A ATOM 27 C LIG 1 -0.200 -4.643 -0.678 0.00 0.00 +0.004 A ATOM 28 C LIG 1 -1.222 -5.290 -1.371 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -2.453 -4.660 -1.547 0.00 0.00 +0.004 A ATOM 30 C LIG 1 -2.662 -3.383 -1.023 0.00 0.00 +0.046 A ENDBRANCH 24 25 ENDBRANCH 19 24 ENDBRANCH 1 18 BRANCH 1 31 ATOM 31 O LIG 1 -1.341 2.656 0.737 0.00 0.00 -0.384 OA ATOM 32 H LIG 1 -1.901 2.484 1.513 0.00 0.00 +0.211 HD ENDBRANCH 1 31 BRANCH 1 33 ATOM 33 C LIG 1 -2.081 1.132 -0.947 0.00 0.00 +0.040 C BRANCH 33 34 ATOM 34 C LIG 1 -3.559 1.107 -0.505 0.00 0.00 +0.005 C BRANCH 34 35 ATOM 35 C LIG 1 -4.216 2.445 -0.148 0.00 0.00 +0.028 C BRANCH 35 36 ATOM 36 C LIG 1 -4.075 3.524 -1.219 0.00 0.00 +0.159 C BRANCH 36 38 ATOM 37 C LIG 1 -4.273 5.545 0.016 0.00 0.00 +0.193 C ATOM 38 O LIG 1 -4.888 4.658 -0.909 0.00 0.00 -0.383 OA ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 1 33 TORSDOF 12