REMARK Name = BDB000282 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.647 -0.252 -0.335 0.00 0.00 -0.011 A ATOM 2 C LIG 1 0.341 -0.088 0.169 0.00 0.00 +0.036 A ATOM 3 C LIG 1 -0.513 -1.182 0.370 0.00 0.00 +0.079 A ATOM 4 N LIG 1 -1.820 -1.045 0.924 0.00 0.00 -0.265 N ATOM 5 C LIG 1 -2.662 -2.156 0.988 0.00 0.00 +0.260 C ATOM 6 C LIG 1 -2.158 -3.373 0.199 0.00 0.00 +0.256 C ATOM 7 O LIG 1 -0.758 -3.606 0.244 0.00 0.00 -0.478 OA ATOM 8 C LIG 1 -2.845 -4.648 0.676 0.00 0.00 +0.062 C ATOM 9 O LIG 1 -3.763 -2.133 1.538 0.00 0.00 -0.271 OA ATOM 10 C LIG 1 -0.034 -2.460 0.050 0.00 0.00 +0.143 A ATOM 11 C LIG 1 1.259 -2.643 -0.439 0.00 0.00 +0.048 A ATOM 12 C LIG 1 2.092 -1.545 -0.641 0.00 0.00 +0.012 A ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 3.543 1.270 0.333 0.00 0.00 +0.056 A ATOM 14 C LIG 1 2.518 0.913 -0.540 0.00 0.00 +0.043 A ATOM 15 C LIG 1 2.367 1.767 -1.634 0.00 0.00 +0.129 A ATOM 16 N LIG 1 3.132 2.848 -1.847 0.00 0.00 -0.199 NA ATOM 17 C LIG 1 4.079 3.102 -0.946 0.00 0.00 +0.214 A ATOM 18 N LIG 1 4.334 2.350 0.124 0.00 0.00 -0.219 NA BRANCH 15 19 ATOM 19 N LIG 1 1.351 1.577 -2.577 0.00 0.00 -0.343 N ATOM 20 H LIG 1 1.467 2.277 -3.304 0.00 0.00 +0.144 HD ATOM 21 H LIG 1 1.340 0.632 -2.945 0.00 0.00 +0.144 HD ENDBRANCH 15 19 BRANCH 17 22 ATOM 22 N LIG 1 4.889 4.197 -1.159 0.00 0.00 -0.327 N ATOM 23 H LIG 1 4.904 4.432 -2.140 0.00 0.00 +0.145 HD ATOM 24 H LIG 1 5.775 4.063 -0.694 0.00 0.00 +0.145 HD ENDBRANCH 17 22 BRANCH 13 26 ATOM 25 C LIG 1 5.066 -0.415 1.404 0.00 0.00 +0.010 C ATOM 26 C LIG 1 3.860 0.494 1.590 0.00 0.00 +0.053 C ENDBRANCH 13 26 ENDBRANCH 1 14 BRANCH 4 27 ATOM 27 C LIG 1 -2.288 0.222 1.482 0.00 0.00 +0.116 C BRANCH 27 28 ATOM 28 C LIG 1 -2.909 1.161 0.446 0.00 0.00 +0.047 C BRANCH 28 29 ATOM 29 C LIG 1 -4.223 0.636 -0.130 0.00 0.00 +0.161 C BRANCH 29 30 ATOM 30 O LIG 1 -4.762 1.562 -1.076 0.00 0.00 -0.383 OA ATOM 31 C LIG 1 -5.563 2.570 -0.474 0.00 0.00 +0.193 C ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 4 27 TORSDOF 8