REMARK Name = BDB063431 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.333 -1.838 0.697 0.00 0.00 +0.046 C ATOM 2 C LIG 1 -3.805 -0.482 0.331 0.00 0.00 -0.020 A ATOM 3 C LIG 1 -4.619 0.551 -0.137 0.00 0.00 +0.109 A ATOM 4 N LIG 1 -4.134 1.778 -0.466 0.00 0.00 -0.250 NA ATOM 5 C LIG 1 -2.800 1.971 -0.323 0.00 0.00 +0.134 A ATOM 6 C LIG 1 -1.885 1.021 0.132 0.00 0.00 +0.052 A ATOM 7 C LIG 1 -2.428 -0.221 0.458 0.00 0.00 +0.030 A ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 -6.071 0.442 -0.325 0.00 0.00 +0.158 A ATOM 9 N LIG 1 -6.806 1.508 -0.794 0.00 0.00 -0.337 N ATOM 10 H LIG 1 -6.395 2.402 -1.028 0.00 0.00 +0.167 HD ATOM 11 C LIG 1 -8.123 1.148 -0.878 0.00 0.00 +0.067 A ATOM 12 C LIG 1 -8.147 -0.174 -0.442 0.00 0.00 +0.102 A ATOM 13 C LIG 1 -9.379 -0.856 -0.406 0.00 0.00 +0.064 A ATOM 14 C LIG 1 -10.538 -0.169 -0.814 0.00 0.00 +0.015 A ATOM 15 C LIG 1 -10.475 1.158 -1.246 0.00 0.00 +0.003 A ATOM 16 C LIG 1 -9.260 1.848 -1.287 0.00 0.00 +0.028 A ATOM 17 N LIG 1 -6.869 -0.590 -0.106 0.00 0.00 -0.225 NA BRANCH 13 18 ATOM 18 C LIG 1 -9.491 -2.263 0.045 0.00 0.00 +0.244 C ATOM 19 O LIG 1 -10.569 -2.845 0.072 0.00 0.00 -0.270 OA ATOM 20 N LIG 1 -8.344 -2.893 0.432 0.00 0.00 -0.325 N ATOM 21 H LIG 1 -7.449 -2.410 0.409 0.00 0.00 +0.145 HD ATOM 22 H LIG 1 -8.390 -3.851 0.743 0.00 0.00 +0.145 HD ENDBRANCH 13 18 ENDBRANCH 3 8 BRANCH 6 23 ATOM 23 N LIG 1 -0.533 1.349 0.236 0.00 0.00 -0.282 N ATOM 24 H LIG 1 -0.253 2.279 -0.040 0.00 0.00 +0.155 HD BRANCH 23 25 ATOM 25 C LIG 1 0.602 0.653 0.645 0.00 0.00 +0.221 A ATOM 26 N LIG 1 1.743 1.359 0.581 0.00 0.00 -0.199 NA ATOM 27 C LIG 1 2.899 0.765 0.946 0.00 0.00 +0.130 A ATOM 28 C LIG 1 2.902 -0.538 1.409 0.00 0.00 +0.064 A ATOM 29 C LIG 1 1.694 -1.185 1.445 0.00 0.00 +0.118 A ATOM 30 N LIG 1 0.541 -0.614 1.066 0.00 0.00 -0.223 NA BRANCH 27 31 ATOM 31 N LIG 1 4.123 1.491 0.910 0.00 0.00 -0.288 N ATOM 32 C LIG 1 3.967 2.859 0.399 0.00 0.00 +0.137 C BRANCH 31 33 ATOM 33 C LIG 1 5.388 0.941 0.524 0.00 0.00 +0.037 A ATOM 34 C LIG 1 5.470 0.004 -0.538 0.00 0.00 +0.053 A ATOM 35 C LIG 1 6.770 -0.454 -0.810 0.00 0.00 +0.095 A ATOM 36 C LIG 1 7.900 0.019 -0.050 0.00 0.00 +0.023 A ATOM 37 C LIG 1 9.017 -0.605 -0.550 0.00 0.00 +0.044 A ATOM 38 N LIG 1 8.528 -1.408 -1.554 0.00 0.00 -0.270 N ATOM 39 C LIG 1 9.294 -2.288 -2.408 0.00 0.00 +0.172 C ATOM 40 C LIG 1 10.456 -0.534 -0.197 0.00 0.00 +0.066 C ATOM 41 C LIG 1 7.872 0.936 0.995 0.00 0.00 +0.013 A ATOM 42 N LIG 1 7.194 -1.331 -1.732 0.00 0.00 -0.171 NA ATOM 43 C LIG 1 6.556 1.378 1.248 0.00 0.00 +0.024 A ENDBRANCH 31 33 ENDBRANCH 27 31 ENDBRANCH 23 25 ENDBRANCH 6 23 TORSDOF 6