REMARK Name = BDB018924 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.297 -1.643 -0.141 0.00 0.00 -0.300 N ATOM 2 C LIG 1 0.963 -0.990 -0.091 0.00 0.00 +0.038 A ATOM 3 C LIG 1 2.160 -1.696 0.112 0.00 0.00 -0.025 A ATOM 4 C LIG 1 3.385 -1.009 0.169 0.00 0.00 +0.014 A ATOM 5 C LIG 1 3.458 0.379 -0.022 0.00 0.00 -0.006 A ATOM 6 C LIG 1 2.283 1.093 -0.294 0.00 0.00 +0.027 A ATOM 7 C LIG 1 2.160 -3.187 0.314 0.00 0.00 +0.038 C ATOM 8 C LIG 1 0.893 -3.808 -0.247 0.00 0.00 +0.024 C ATOM 9 C LIG 1 1.056 0.395 -0.322 0.00 0.00 +0.033 A ATOM 10 C LIG 1 -0.312 -3.054 0.296 0.00 0.00 +0.111 C ENDROOT BRANCH 1 15 ATOM 11 N LIG 1 -5.304 0.609 0.835 0.00 0.00 -0.292 N ATOM 12 C LIG 1 -3.980 0.152 0.788 0.00 0.00 +0.070 A ATOM 13 C LIG 1 -3.840 -0.638 -0.355 0.00 0.00 +0.071 A ATOM 14 C LIG 1 -2.643 -1.239 -0.686 0.00 0.00 +0.051 A ATOM 15 C LIG 1 -1.547 -1.028 0.168 0.00 0.00 +0.036 A ATOM 16 C LIG 1 -1.702 -0.225 1.328 0.00 0.00 +0.025 A ATOM 17 N LIG 1 -5.072 -0.658 -1.019 0.00 0.00 -0.295 N ATOM 18 C LIG 1 -5.335 -1.328 -2.259 0.00 0.00 +0.154 C ATOM 19 C LIG 1 -2.926 0.376 1.647 0.00 0.00 +0.030 A ATOM 20 C LIG 1 -5.995 0.133 -0.302 0.00 0.00 +0.330 A ATOM 21 O LIG 1 -7.155 0.365 -0.605 0.00 0.00 -0.246 OA BRANCH 11 23 ATOM 22 C LIG 1 -5.599 2.970 1.440 0.00 0.00 +0.027 C ATOM 23 C LIG 1 -5.852 1.517 1.809 0.00 0.00 +0.123 C ENDBRANCH 11 23 ENDBRANCH 1 15 BRANCH 5 24 ATOM 24 C LIG 1 4.756 1.017 0.074 0.00 0.00 +0.020 A ATOM 25 C LIG 1 5.840 0.699 -0.717 0.00 0.00 +0.116 A ATOM 26 N LIG 1 6.856 1.514 -0.311 0.00 0.00 -0.274 N ATOM 27 C LIG 1 8.190 1.575 -0.855 0.00 0.00 +0.172 C ATOM 28 N LIG 1 6.523 2.319 0.714 0.00 0.00 -0.179 NA ATOM 29 C LIG 1 5.237 2.026 0.936 0.00 0.00 +0.142 A ENDBRANCH 5 24 BRANCH 6 30 ATOM 30 C LIG 1 2.273 2.579 -0.551 0.00 0.00 +0.372 C ATOM 31 F LIG 1 3.205 2.984 -1.457 0.00 0.00 -0.204 F ATOM 32 F LIG 1 2.491 3.307 0.580 0.00 0.00 -0.204 F ENDBRANCH 6 30 TORSDOF 4