REMARK Name = BDB000210 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.643 0.074 -0.676 0.00 0.00 +0.159 C ATOM 2 C LIG 1 -1.184 -0.320 -0.385 0.00 0.00 +0.237 C ATOM 3 O LIG 1 -0.852 -0.745 0.728 0.00 0.00 -0.274 OA ATOM 4 N LIG 1 -0.280 -0.214 -1.412 0.00 0.00 -0.285 N ATOM 5 C LIG 1 -0.543 0.183 -2.793 0.00 0.00 +0.077 C ATOM 6 C LIG 1 0.816 0.019 -3.494 0.00 0.00 +0.025 C ATOM 7 C LIG 1 1.549 -1.014 -2.645 0.00 0.00 +0.034 C ATOM 8 C LIG 1 -1.048 1.620 -2.939 0.00 0.00 +0.022 C ATOM 9 C LIG 1 -2.501 1.821 -2.521 0.00 0.00 +0.004 C ATOM 10 C LIG 1 1.092 -0.674 -1.231 0.00 0.00 +0.162 C ATOM 11 C LIG 1 -2.774 1.551 -1.044 0.00 0.00 +0.032 C ENDROOT BRANCH 1 13 ATOM 12 C LIG 1 -4.758 -0.492 0.508 0.00 0.00 +0.231 C ATOM 13 N LIG 1 -3.406 -0.223 0.535 0.00 0.00 -0.303 N ATOM 14 H LIG 1 -2.860 -0.418 1.370 0.00 0.00 +0.149 HD ATOM 15 O LIG 1 -5.407 -0.431 -0.533 0.00 0.00 -0.274 OA BRANCH 12 16 ATOM 16 C LIG 1 -5.335 -0.890 1.892 0.00 0.00 +0.142 C BRANCH 16 17 ATOM 17 N LIG 1 -6.785 -0.605 2.070 0.00 0.00 -0.298 NA ATOM 18 C LIG 1 -7.098 0.806 1.838 0.00 0.00 +0.105 C ATOM 19 C LIG 1 -7.691 -1.463 1.316 0.00 0.00 +0.105 C ENDBRANCH 16 17 BRANCH 16 21 ATOM 20 C LIG 1 -4.933 -3.374 1.196 0.00 0.00 +0.006 C ATOM 21 C LIG 1 -4.899 -2.318 2.295 0.00 0.00 +0.025 C ENDBRANCH 16 21 ENDBRANCH 12 16 ENDBRANCH 1 13 BRANCH 10 22 ATOM 22 C LIG 1 1.982 0.420 -0.601 0.00 0.00 +0.234 C ATOM 23 N LIG 1 3.188 -0.053 -0.130 0.00 0.00 -0.303 N ATOM 24 H LIG 1 3.352 -1.048 -0.070 0.00 0.00 +0.150 HD ATOM 25 O LIG 1 1.670 1.608 -0.571 0.00 0.00 -0.274 OA BRANCH 23 26 ATOM 26 C LIG 1 4.164 0.820 0.500 0.00 0.00 +0.134 C BRANCH 26 27 ATOM 27 C LIG 1 4.786 0.082 1.681 0.00 0.00 -0.023 A ATOM 28 C LIG 1 4.145 0.136 2.931 0.00 0.00 +0.006 A ATOM 29 C LIG 1 4.658 -0.557 4.029 0.00 0.00 +0.000 A ATOM 30 C LIG 1 5.813 -1.322 3.893 0.00 0.00 +0.000 A ATOM 31 C LIG 1 6.453 -1.400 2.658 0.00 0.00 +0.000 A ATOM 32 C LIG 1 5.941 -0.709 1.558 0.00 0.00 +0.006 A ENDBRANCH 26 27 BRANCH 26 33 ATOM 33 C LIG 1 5.176 1.383 -0.496 0.00 0.00 -0.023 A ATOM 34 C LIG 1 5.852 2.576 -0.182 0.00 0.00 +0.006 A ATOM 35 C LIG 1 6.799 3.115 -1.055 0.00 0.00 +0.000 A ATOM 36 C LIG 1 7.090 2.468 -2.253 0.00 0.00 +0.000 A ATOM 37 C LIG 1 6.436 1.283 -2.580 0.00 0.00 +0.000 A ATOM 38 C LIG 1 5.488 0.742 -1.708 0.00 0.00 +0.006 A ENDBRANCH 26 33 ENDBRANCH 23 26 ENDBRANCH 10 22 TORSDOF 8