REMARK Name = BDB038653 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.556 -1.262 0.155 0.00 0.00 -0.012 A ATOM 2 C LIG 1 2.239 -0.792 0.208 0.00 0.00 +0.052 A ATOM 3 C LIG 1 1.448 -0.836 -0.930 0.00 0.00 +0.129 A ATOM 4 N LIG 1 1.925 -1.313 -2.105 0.00 0.00 -0.236 NA ATOM 5 C LIG 1 3.188 -1.795 -2.174 0.00 0.00 +0.047 A ATOM 6 C LIG 1 4.015 -1.791 -1.055 0.00 0.00 +0.032 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 0.116 -0.385 -0.936 0.00 0.00 -0.248 N ATOM 8 C LIG 1 -0.642 0.040 0.147 0.00 0.00 +0.253 C ATOM 9 O LIG 1 -0.377 0.105 1.332 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 -1.957 0.419 -0.386 0.00 0.00 +0.045 A ATOM 11 C LIG 1 -1.950 0.190 -1.755 0.00 0.00 +0.018 A ATOM 12 C LIG 1 -3.073 0.469 -2.498 0.00 0.00 +0.129 A ATOM 13 C LIG 1 -4.204 0.981 -1.861 0.00 0.00 +0.043 A ATOM 14 C LIG 1 -4.211 1.209 -0.464 0.00 0.00 -0.030 A ATOM 15 F LIG 1 -3.084 0.253 -3.818 0.00 0.00 -0.205 F ATOM 16 C LIG 1 -3.059 0.923 0.285 0.00 0.00 +0.018 A ATOM 17 C LIG 1 -0.636 -0.356 -2.182 0.00 0.00 +0.154 C BRANCH 14 18 ATOM 18 C LIG 1 -5.445 1.773 0.210 0.00 0.00 +0.120 C BRANCH 18 19 ATOM 19 N LIG 1 -6.621 0.935 -0.014 0.00 0.00 -0.291 NA ATOM 20 C LIG 1 -7.901 1.561 0.409 0.00 0.00 +0.085 C ATOM 21 C LIG 1 -8.006 1.779 1.931 0.00 0.00 +0.179 C ATOM 22 O LIG 1 -8.081 0.434 2.474 0.00 0.00 -0.374 OA ATOM 23 C LIG 1 -8.024 -0.421 1.298 0.00 0.00 +0.134 C ATOM 24 C LIG 1 -8.819 0.360 0.271 0.00 0.00 +0.054 C ATOM 25 C LIG 1 -6.589 -0.344 0.746 0.00 0.00 +0.116 C ENDBRANCH 18 19 ENDBRANCH 14 18 ENDBRANCH 3 7 BRANCH 1 27 ATOM 26 C LIG 1 4.831 -0.010 1.965 0.00 0.00 +0.028 A ATOM 27 C LIG 1 4.435 -1.216 1.338 0.00 0.00 -0.007 A ATOM 28 C LIG 1 4.884 -2.433 1.890 0.00 0.00 +0.010 A ATOM 29 C LIG 1 5.687 -2.464 3.033 0.00 0.00 +0.019 A ATOM 30 C LIG 1 6.055 -1.274 3.659 0.00 0.00 +0.052 A ATOM 31 C LIG 1 5.624 -0.056 3.128 0.00 0.00 +0.031 A BRANCH 26 34 ATOM 32 C LIG 1 5.579 1.381 -0.774 0.00 0.00 +0.152 C ATOM 33 N LIG 1 4.751 1.893 0.283 0.00 0.00 -0.317 N ATOM 34 C LIG 1 4.433 1.316 1.488 0.00 0.00 +0.164 A ATOM 35 N LIG 1 3.752 2.201 2.194 0.00 0.00 -0.129 NA ATOM 36 N LIG 1 3.581 3.333 1.434 0.00 0.00 -0.138 NA ATOM 37 C LIG 1 4.181 3.131 0.287 0.00 0.00 +0.225 A ENDBRANCH 26 34 BRANCH 30 38 ATOM 38 C LIG 1 6.873 -1.302 4.836 0.00 0.00 +0.099 C ATOM 39 N LIG 1 7.550 -1.336 5.778 0.00 0.00 -0.191 NA ENDBRANCH 30 38 ENDBRANCH 1 27 BRANCH 5 40 ATOM 40 C LIG 1 3.677 -2.348 -3.491 0.00 0.00 +0.038 C ATOM 41 C LIG 1 4.818 -1.676 -4.222 0.00 0.00 +0.010 C ATOM 42 C LIG 1 3.426 -1.582 -4.771 0.00 0.00 +0.010 C ENDBRANCH 5 40 TORSDOF 7