REMARK Name = BDB064467 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.456 1.618 -1.607 0.00 0.00 +0.246 C ATOM 2 N LIG 1 -0.847 1.335 -1.277 0.00 0.00 -0.282 N ATOM 3 H LIG 1 -1.281 1.931 -0.588 0.00 0.00 +0.151 HD ATOM 4 O LIG 1 1.030 1.232 -2.613 0.00 0.00 -0.270 OA ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 -1.756 0.857 -2.290 0.00 0.00 +0.279 C ATOM 6 C LIG 1 -1.477 -0.538 -2.910 0.00 0.00 +0.260 C ATOM 7 O LIG 1 -1.387 -0.718 -4.128 0.00 0.00 -0.271 OA ATOM 8 N LIG 1 -1.352 -1.623 -2.084 0.00 0.00 -0.282 N ATOM 9 H LIG 1 -0.944 -2.422 -2.551 0.00 0.00 +0.155 HD ATOM 10 C LIG 1 -1.625 -1.691 -0.714 0.00 0.00 +0.043 A ATOM 11 C LIG 1 -2.519 -0.846 -0.040 0.00 0.00 +0.022 A ATOM 12 C LIG 1 -2.637 -0.945 1.359 0.00 0.00 +0.012 A ATOM 13 C LIG 1 -1.934 -1.921 2.066 0.00 0.00 +0.001 A ATOM 14 C LIG 1 -1.115 -2.813 1.383 0.00 0.00 +0.002 A ATOM 15 C LIG 1 -3.435 0.099 -0.756 0.00 0.00 +0.077 C ATOM 16 C LIG 1 -0.965 -2.700 0.000 0.00 0.00 +0.024 A ATOM 17 N LIG 1 -3.102 0.878 -1.728 0.00 0.00 -0.251 NA BRANCH 15 18 ATOM 18 C LIG 1 -4.868 0.162 -0.316 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -5.515 1.403 -0.280 0.00 0.00 +0.010 A ATOM 20 C LIG 1 -6.849 1.484 0.122 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -7.542 0.326 0.477 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -6.907 -0.914 0.423 0.00 0.00 +0.001 A ATOM 23 C LIG 1 -5.572 -1.001 0.021 0.00 0.00 +0.010 A ENDBRANCH 15 18 ENDBRANCH 2 5 BRANCH 1 25 ATOM 24 C LIG 1 1.566 2.038 0.616 0.00 0.00 -0.021 A ATOM 25 C LIG 1 1.146 2.498 -0.643 0.00 0.00 +0.041 A ATOM 26 C LIG 1 1.363 3.824 -1.041 0.00 0.00 +0.013 A ATOM 27 C LIG 1 1.987 4.716 -0.171 0.00 0.00 +0.001 A ATOM 28 C LIG 1 2.400 4.283 1.087 0.00 0.00 +0.000 A ATOM 29 C LIG 1 2.197 2.956 1.475 0.00 0.00 +0.005 A BRANCH 24 30 ATOM 30 C LIG 1 1.422 0.597 1.057 0.00 0.00 +0.120 C BRANCH 30 36 ATOM 31 C LIG 1 5.721 -0.698 0.763 0.00 0.00 +0.042 C ATOM 32 C LIG 1 4.572 -1.262 -0.082 0.00 0.00 +0.077 C ATOM 33 O LIG 1 4.226 -2.551 0.469 0.00 0.00 -0.371 OA ATOM 34 C LIG 1 2.911 -2.605 1.024 0.00 0.00 +0.176 C ATOM 35 C LIG 1 2.590 -1.379 1.891 0.00 0.00 +0.113 C ATOM 36 N LIG 1 2.717 -0.088 1.185 0.00 0.00 -0.293 NA ATOM 37 C LIG 1 3.367 -0.277 -0.133 0.00 0.00 +0.119 C ATOM 38 C LIG 1 5.077 -1.520 -1.506 0.00 0.00 +0.042 C ENDBRANCH 30 36 ENDBRANCH 24 30 ENDBRANCH 1 25 TORSDOF 5