REMARK Name = BDB036341 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.446 0.777 -0.087 0.00 0.00 -0.030 A ATOM 2 C LIG 1 -0.285 1.353 -1.344 0.00 0.00 -0.040 A ATOM 3 C LIG 1 -1.224 2.259 -2.086 0.00 0.00 +0.036 C ATOM 4 C LIG 1 -0.300 2.841 -3.164 0.00 0.00 +0.009 C ATOM 5 C LIG 1 0.753 1.767 -3.457 0.00 0.00 +0.036 C ATOM 6 C LIG 1 0.842 1.079 -2.130 0.00 0.00 -0.044 A ATOM 7 C LIG 1 1.846 0.234 -1.685 0.00 0.00 +0.008 A ATOM 8 C LIG 1 1.737 -0.336 -0.409 0.00 0.00 -0.039 A ATOM 9 C LIG 1 0.591 -0.057 0.374 0.00 0.00 +0.009 A ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 -1.649 1.057 0.789 0.00 0.00 +0.120 C BRANCH 10 20 ATOM 11 C LIG 1 -4.781 0.685 1.913 0.00 0.00 +0.187 C ATOM 12 O LIG 1 -5.647 -0.383 1.488 0.00 0.00 -0.486 OA ATOM 13 C LIG 1 -5.708 -0.740 0.177 0.00 0.00 +0.144 A ATOM 14 C LIG 1 -4.631 -0.853 -0.704 0.00 0.00 +0.100 A ATOM 15 N LIG 1 -4.795 -1.244 -2.002 0.00 0.00 -0.255 NA ATOM 16 C LIG 1 -6.044 -1.537 -2.420 0.00 0.00 +0.111 A ATOM 17 C LIG 1 -7.158 -1.477 -1.605 0.00 0.00 +0.023 A ATOM 18 C LIG 1 -3.196 -0.602 -0.253 0.00 0.00 +0.106 C ATOM 19 C LIG 1 -2.772 -1.712 0.728 0.00 0.00 +0.031 C ATOM 20 N LIG 1 -2.940 0.802 0.144 0.00 0.00 -0.286 NA ATOM 21 C LIG 1 -6.980 -1.080 -0.285 0.00 0.00 +0.049 A ATOM 22 C LIG 1 -4.059 1.484 0.806 0.00 0.00 +0.130 C BRANCH 11 24 ATOM 23 C LIG 1 -6.305 0.970 3.943 0.00 0.00 +0.007 C ATOM 24 C LIG 1 -5.656 1.648 2.742 0.00 0.00 +0.042 C ENDBRANCH 11 24 ENDBRANCH 10 20 ENDBRANCH 1 10 BRANCH 8 25 ATOM 25 C LIG 1 2.800 -1.291 0.137 0.00 0.00 +0.060 C BRANCH 25 26 ATOM 26 C LIG 1 4.224 -0.708 0.056 0.00 0.00 -0.034 A ATOM 27 C LIG 1 4.696 0.194 1.059 0.00 0.00 -0.017 A ATOM 28 C LIG 1 3.844 0.610 2.226 0.00 0.00 +0.046 C ATOM 29 C LIG 1 6.012 0.695 0.926 0.00 0.00 +0.116 A ATOM 30 N LIG 1 6.717 1.555 1.734 0.00 0.00 -0.129 NA ATOM 31 N LIG 1 7.918 1.735 1.204 0.00 0.00 -0.065 NA ATOM 32 N LIG 1 7.974 1.001 0.079 0.00 0.00 -0.247 N ATOM 33 C LIG 1 9.178 1.012 -0.708 0.00 0.00 +0.175 C ATOM 34 C LIG 1 6.806 0.325 -0.150 0.00 0.00 +0.089 A ATOM 35 C LIG 1 6.371 -0.540 -1.151 0.00 0.00 +0.030 A ATOM 36 C LIG 1 5.071 -1.041 -1.024 0.00 0.00 +0.007 A ENDBRANCH 25 26 BRANCH 25 37 ATOM 37 C LIG 1 2.591 -2.677 -0.501 0.00 0.00 +0.133 C BRANCH 37 38 ATOM 38 C LIG 1 3.476 -3.720 0.114 0.00 0.00 +0.306 C ATOM 39 O LIG 1 4.325 -4.374 -0.469 0.00 0.00 -0.251 OA BRANCH 38 40 ATOM 40 O LIG 1 3.228 -3.926 1.421 0.00 0.00 -0.481 OA ATOM 41 H LIG 1 3.867 -4.625 1.678 0.00 0.00 +0.295 HD ENDBRANCH 38 40 ENDBRANCH 37 38 ENDBRANCH 25 37 ENDBRANCH 8 25 TORSDOF 8