REMARK Name = BDB039335 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.652 1.526 0.071 0.00 0.00 +0.001 A ATOM 2 C LIG 1 -1.126 0.196 0.094 0.00 0.00 +0.016 A ATOM 3 C LIG 1 -2.493 -0.040 0.123 0.00 0.00 -0.017 A ATOM 4 C LIG 1 -3.236 -1.333 0.125 0.00 0.00 +0.144 C ATOM 5 N LIG 1 -4.623 -0.905 0.252 0.00 0.00 -0.282 N ATOM 6 C LIG 1 -4.750 0.473 0.147 0.00 0.00 +0.248 C ATOM 7 O LIG 1 -5.766 1.135 0.074 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -3.390 1.023 0.121 0.00 0.00 +0.042 A ATOM 9 C LIG 1 -2.982 2.339 0.085 0.00 0.00 +0.014 A ATOM 10 C LIG 1 -1.605 2.581 0.059 0.00 0.00 +0.011 A ENDROOT BRANCH 1 17 ATOM 11 C LIG 1 2.316 5.103 -2.292 0.00 0.00 +0.150 C ATOM 12 N LIG 1 3.045 4.164 -1.473 0.00 0.00 -0.335 N ATOM 13 C LIG 1 2.462 3.149 -0.757 0.00 0.00 +0.141 A ATOM 14 C LIG 1 3.474 2.456 -0.100 0.00 0.00 +0.023 A ATOM 15 C LIG 1 3.103 1.359 0.704 0.00 0.00 -0.021 A ATOM 16 C LIG 1 1.725 1.070 0.758 0.00 0.00 +0.034 A ATOM 17 C LIG 1 0.797 1.831 0.042 0.00 0.00 +0.074 A ATOM 18 C LIG 1 4.698 3.095 -0.448 0.00 0.00 +0.029 A ATOM 19 N LIG 1 1.141 2.895 -0.721 0.00 0.00 -0.229 NA ATOM 20 C LIG 1 4.403 4.144 -1.294 0.00 0.00 +0.088 A BRANCH 15 21 ATOM 21 C LIG 1 4.081 0.513 1.489 0.00 0.00 +0.120 C BRANCH 21 22 ATOM 22 N LIG 1 4.047 -0.913 1.117 0.00 0.00 -0.298 NA ATOM 23 C LIG 1 4.809 -1.736 2.070 0.00 0.00 +0.085 C ATOM 24 C LIG 1 6.200 -2.125 1.576 0.00 0.00 +0.015 C ATOM 25 C LIG 1 6.124 -2.921 0.274 0.00 0.00 +0.002 C ATOM 26 C LIG 1 4.900 -2.548 -0.561 0.00 0.00 +0.015 C ATOM 27 C LIG 1 4.458 -1.112 -0.286 0.00 0.00 +0.085 C ENDBRANCH 21 22 ENDBRANCH 15 21 ENDBRANCH 1 17 BRANCH 5 28 ATOM 28 C LIG 1 -5.725 -1.847 0.088 0.00 0.00 +0.163 C ATOM 29 C LIG 1 -6.135 -1.974 -1.387 0.00 0.00 +0.240 C ATOM 30 O LIG 1 -5.347 -1.853 -2.324 0.00 0.00 -0.273 OA ATOM 31 N LIG 1 -7.435 -2.362 -1.620 0.00 0.00 -0.255 N ATOM 32 H LIG 1 -7.692 -2.479 -2.590 0.00 0.00 +0.158 HD ATOM 33 C LIG 1 -8.384 -2.725 -0.698 0.00 0.00 +0.219 C ATOM 34 O LIG 1 -9.461 -3.198 -1.051 0.00 0.00 -0.275 OA ATOM 35 C LIG 1 -7.999 -2.602 0.758 0.00 0.00 +0.098 C ATOM 36 C LIG 1 -6.940 -1.529 0.959 0.00 0.00 +0.041 C ENDBRANCH 5 28 TORSDOF 4