REMARK Name = BDB017588 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.885 -1.629 -0.847 0.00 0.00 -0.031 A ATOM 2 C LIG 1 -1.935 -2.030 -0.024 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -3.018 -1.172 0.210 0.00 0.00 +0.052 A ATOM 4 C LIG 1 -3.093 0.123 -0.350 0.00 0.00 +0.025 A ATOM 5 C LIG 1 -4.276 0.957 0.037 0.00 0.00 +0.045 A ATOM 6 N LIG 1 -4.335 2.299 -0.327 0.00 0.00 -0.343 N ATOM 7 H LIG 1 -3.411 2.734 -0.424 0.00 0.00 +0.146 HD ATOM 8 C LIG 1 -5.311 3.210 0.254 0.00 0.00 +0.102 C ATOM 9 C LIG 1 -6.653 2.501 0.366 0.00 0.00 +0.023 C ATOM 10 C LIG 1 -6.503 1.200 1.158 0.00 0.00 +0.044 C ATOM 11 C LIG 1 -5.274 0.418 0.769 0.00 0.00 +0.038 A ATOM 12 C LIG 1 -5.197 -0.971 1.282 0.00 0.00 +0.254 A ATOM 13 O LIG 1 -6.098 -1.474 1.947 0.00 0.00 -0.268 OA ATOM 14 C LIG 1 -2.054 0.503 -1.237 0.00 0.00 -0.011 A ATOM 15 N LIG 1 -4.056 -1.661 1.008 0.00 0.00 -0.322 N ATOM 16 H LIG 1 -4.022 -2.599 1.381 0.00 0.00 +0.169 HD ATOM 17 C LIG 1 -0.965 -0.373 -1.458 0.00 0.00 +0.011 A ENDROOT BRANCH 1 18 ATOM 18 C LIG 1 0.288 -2.549 -1.114 0.00 0.00 +0.119 C BRANCH 18 22 ATOM 19 N LIG 1 4.277 -1.629 0.232 0.00 0.00 -0.323 N ATOM 20 C LIG 1 3.179 -1.991 1.139 0.00 0.00 +0.120 C ATOM 21 C LIG 1 1.802 -1.580 0.566 0.00 0.00 +0.103 C ATOM 22 N LIG 1 1.585 -1.908 -0.867 0.00 0.00 -0.295 NA ATOM 23 C LIG 1 2.697 -2.710 -1.409 0.00 0.00 +0.103 C ATOM 24 C LIG 1 4.072 -2.034 -1.180 0.00 0.00 +0.120 C BRANCH 19 29 ATOM 25 C LIG 1 6.753 1.789 0.822 0.00 0.00 +0.057 A ATOM 26 C LIG 1 5.556 1.669 1.523 0.00 0.00 +0.059 A ATOM 27 C LIG 1 4.737 0.551 1.329 0.00 0.00 +0.148 A ATOM 28 F LIG 1 3.583 0.538 2.014 0.00 0.00 -0.203 F ATOM 29 C LIG 1 5.064 -0.488 0.436 0.00 0.00 +0.101 A ATOM 30 C LIG 1 6.286 -0.320 -0.253 0.00 0.00 +0.148 A ATOM 31 F LIG 1 6.709 -1.259 -1.116 0.00 0.00 -0.203 F ATOM 32 C LIG 1 7.118 0.789 -0.073 0.00 0.00 +0.059 A BRANCH 25 34 ATOM 33 N LIG 1 8.278 3.856 1.174 0.00 0.00 -0.191 NA ATOM 34 C LIG 1 7.596 2.931 1.017 0.00 0.00 +0.099 C ENDBRANCH 25 34 ENDBRANCH 19 29 ENDBRANCH 18 22 ENDBRANCH 1 18 BRANCH 14 35 ATOM 35 C LIG 1 -2.020 1.808 -1.991 0.00 0.00 +0.191 C BRANCH 35 36 ATOM 36 O LIG 1 -1.709 2.874 -1.096 0.00 0.00 -0.390 OA ATOM 37 H LIG 1 -1.011 2.542 -0.503 0.00 0.00 +0.210 HD ENDBRANCH 35 36 ENDBRANCH 14 35 TORSDOF 6