REMARK Name = BDB007191 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.773 0.076 -0.588 0.00 0.00 +0.030 A ATOM 2 C LIG 1 -2.426 -0.126 -0.245 0.00 0.00 +0.029 A ATOM 3 C LIG 1 -1.425 -0.324 -1.214 0.00 0.00 -0.017 A ATOM 4 C LIG 1 0.019 -0.576 -0.810 0.00 0.00 +0.142 C ATOM 5 N LIG 1 1.028 -0.162 -1.823 0.00 0.00 -0.260 N ATOM 6 C LIG 1 0.661 -0.051 -3.176 0.00 0.00 +0.225 C ATOM 7 C LIG 1 -0.716 -0.554 -3.577 0.00 0.00 +0.131 C ATOM 8 O LIG 1 1.379 0.386 -4.080 0.00 0.00 -0.275 OA ATOM 9 C LIG 1 -1.778 -0.311 -2.558 0.00 0.00 -0.033 A ATOM 10 C LIG 1 -3.113 -0.119 -2.924 0.00 0.00 +0.006 A ATOM 11 C LIG 1 -4.095 0.079 -1.948 0.00 0.00 +0.023 A ENDROOT BRANCH 4 12 ATOM 12 C LIG 1 0.224 -2.015 -0.321 0.00 0.00 -0.022 A ATOM 13 C LIG 1 0.048 -2.318 1.043 0.00 0.00 +0.007 A ATOM 14 C LIG 1 0.213 -3.623 1.516 0.00 0.00 +0.020 A ATOM 15 C LIG 1 0.553 -4.641 0.631 0.00 0.00 +0.041 A ATOM 16 CL LIG 1 0.757 -6.247 1.212 0.00 0.00 -0.084 Cl ATOM 17 C LIG 1 0.730 -4.366 -0.722 0.00 0.00 +0.020 A ATOM 18 C LIG 1 0.564 -3.061 -1.196 0.00 0.00 +0.007 A ENDBRANCH 4 12 BRANCH 5 19 ATOM 19 C LIG 1 2.403 0.047 -1.377 0.00 0.00 +0.037 A ATOM 20 C LIG 1 3.481 0.118 -2.268 0.00 0.00 +0.025 A ATOM 21 C LIG 1 4.809 0.300 -1.834 0.00 0.00 +0.025 A ATOM 22 C LIG 1 5.136 0.399 -0.482 0.00 0.00 +0.030 A ATOM 23 C LIG 1 4.064 0.334 0.413 0.00 0.00 +0.025 A ATOM 24 C LIG 1 2.737 0.156 -0.018 0.00 0.00 +0.025 A BRANCH 22 25 ATOM 25 N LIG 1 6.440 0.590 -0.004 0.00 0.00 -0.329 N ATOM 26 C LIG 1 7.455 1.039 -0.961 0.00 0.00 +0.129 C BRANCH 25 27 ATOM 27 C LIG 1 6.902 -0.441 0.947 0.00 0.00 +0.140 C BRANCH 27 28 ATOM 28 C LIG 1 7.811 0.148 2.004 0.00 0.00 -0.027 A ATOM 29 C LIG 1 7.489 1.347 2.650 0.00 0.00 +0.025 A ATOM 30 C LIG 1 8.339 1.824 3.634 0.00 0.00 +0.111 A ATOM 31 N LIG 1 9.466 1.193 4.024 0.00 0.00 -0.263 NA ATOM 32 C LIG 1 9.755 0.032 3.399 0.00 0.00 +0.111 A ATOM 33 C LIG 1 8.970 -0.525 2.401 0.00 0.00 +0.025 A ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 22 25 ENDBRANCH 5 19 BRANCH 1 34 ATOM 34 N LIG 1 -4.715 0.260 0.436 0.00 0.00 -0.326 N BRANCH 34 36 ATOM 35 C LIG 1 -6.096 -1.793 0.782 0.00 0.00 +0.027 C ATOM 36 C LIG 1 -4.924 -0.944 1.277 0.00 0.00 +0.067 C ATOM 37 C LIG 1 -5.108 -0.538 2.741 0.00 0.00 +0.027 C ENDBRANCH 34 36 BRANCH 34 38 ATOM 38 C LIG 1 -5.877 1.137 0.176 0.00 0.00 +0.120 C BRANCH 38 39 ATOM 39 C LIG 1 -5.451 2.616 -0.014 0.00 0.00 +0.102 C BRANCH 39 40 ATOM 40 N LIG 1 -6.521 3.615 -0.206 0.00 0.00 -0.307 NA ATOM 41 C LIG 1 -7.393 3.740 0.958 0.00 0.00 +0.104 C ATOM 42 C LIG 1 -7.293 3.380 -1.422 0.00 0.00 +0.104 C ENDBRANCH 39 40 ENDBRANCH 38 39 ENDBRANCH 34 38 ENDBRANCH 1 34 TORSDOF 10