REMARK Name = BDB052199 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.193 -2.914 1.860 0.00 0.00 +0.139 A ATOM 2 C LIG 1 -0.090 -1.578 1.534 0.00 0.00 +0.121 A ATOM 3 C LIG 1 0.717 -0.988 0.569 0.00 0.00 +0.152 A ATOM 4 O LIG 1 0.619 0.310 0.113 0.00 0.00 -0.458 OA ATOM 5 C LIG 1 1.684 0.523 -0.756 0.00 0.00 +0.127 C ATOM 6 C LIG 1 2.417 -0.770 -1.068 0.00 0.00 +0.117 C ATOM 7 C LIG 1 2.162 -1.251 -2.500 0.00 0.00 +0.033 C ATOM 8 C LIG 1 3.894 -0.456 -0.852 0.00 0.00 +0.169 C ATOM 9 O LIG 1 4.661 -1.202 -0.240 0.00 0.00 -0.295 OA ATOM 10 C LIG 1 4.424 0.796 -1.530 0.00 0.00 +0.192 C ATOM 11 C LIG 1 3.368 1.841 -1.827 0.00 0.00 +0.177 C ATOM 12 O LIG 1 3.573 2.778 -2.595 0.00 0.00 -0.291 OA ATOM 13 C LIG 1 2.067 1.746 -1.132 0.00 0.00 +0.090 C ATOM 14 C LIG 1 1.762 -1.675 -0.066 0.00 0.00 +0.058 A ATOM 15 C LIG 1 1.996 -3.001 0.233 0.00 0.00 +0.128 A ATOM 16 C LIG 1 1.215 -3.628 1.201 0.00 0.00 +0.092 A ENDROOT BRANCH 2 17 ATOM 17 C LIG 1 -1.181 -0.824 2.207 0.00 0.00 +0.251 C ATOM 18 N LIG 1 -1.840 0.106 1.436 0.00 0.00 -0.307 N ATOM 19 H LIG 1 -1.538 0.289 0.487 0.00 0.00 +0.149 HD ATOM 20 O LIG 1 -1.460 -1.020 3.384 0.00 0.00 -0.270 OA BRANCH 18 21 ATOM 21 C LIG 1 -2.884 0.936 1.989 0.00 0.00 +0.140 C BRANCH 21 22 ATOM 22 C LIG 1 -3.449 1.862 0.938 0.00 0.00 -0.023 A ATOM 23 C LIG 1 -4.341 1.408 -0.076 0.00 0.00 -0.013 A ATOM 24 C LIG 1 -4.806 2.338 -1.041 0.00 0.00 -0.018 A ATOM 25 C LIG 1 -5.688 1.921 -2.051 0.00 0.00 +0.008 A ATOM 26 C LIG 1 -6.118 0.598 -2.129 0.00 0.00 +0.001 A ATOM 27 C LIG 1 -5.670 -0.327 -1.195 0.00 0.00 +0.001 A ATOM 28 C LIG 1 -4.382 3.674 -0.987 0.00 0.00 +0.008 A ATOM 29 C LIG 1 -3.502 4.106 0.001 0.00 0.00 +0.001 A ATOM 30 C LIG 1 -4.793 0.073 -0.183 0.00 0.00 +0.009 A ATOM 31 C LIG 1 -3.036 3.206 0.953 0.00 0.00 +0.006 A ENDBRANCH 21 22 ENDBRANCH 18 21 ENDBRANCH 2 17 BRANCH 10 32 ATOM 32 C LIG 1 5.537 1.412 -0.715 0.00 0.00 +0.148 C ATOM 33 O LIG 1 5.298 2.135 0.254 0.00 0.00 -0.296 OA ATOM 34 C LIG 1 6.950 1.080 -1.116 0.00 0.00 +0.087 C ENDBRANCH 10 32 BRANCH 1 36 ATOM 35 C LIG 1 0.025 -3.676 4.025 0.00 0.00 +0.277 C ATOM 36 O LIG 1 -0.594 -3.617 2.738 0.00 0.00 -0.494 OA ENDBRANCH 1 36 BRANCH 15 37 ATOM 37 O LIG 1 2.957 -3.677 -0.450 0.00 0.00 -0.506 OA ATOM 38 H LIG 1 3.137 -4.518 0.003 0.00 0.00 +0.292 HD ENDBRANCH 15 37 TORSDOF 6