REMARK Name = BDB017606 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -2.198 -1.670 1.435 0.00 0.00 -0.327 N ATOM 2 C LIG 1 -1.411 -1.486 2.675 0.00 0.00 +0.120 C ATOM 3 C LIG 1 -0.064 -2.236 2.583 0.00 0.00 +0.103 C ATOM 4 N LIG 1 0.818 -1.804 1.473 0.00 0.00 -0.295 NA ATOM 5 C LIG 1 0.025 -1.223 0.360 0.00 0.00 +0.103 C ATOM 6 C LIG 1 -1.386 -1.834 0.207 0.00 0.00 +0.120 C ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 -5.520 0.950 1.334 0.00 0.00 +0.037 A ATOM 8 C LIG 1 -5.624 -0.308 1.934 0.00 0.00 +0.018 A ATOM 9 C LIG 1 -4.533 -1.196 1.943 0.00 0.00 -0.029 A ATOM 10 C LIG 1 -4.707 -2.544 2.591 0.00 0.00 +0.045 C ATOM 11 C LIG 1 -3.302 -0.805 1.373 0.00 0.00 +0.033 A ATOM 12 C LIG 1 -3.212 0.470 0.790 0.00 0.00 +0.024 A ATOM 13 C LIG 1 -4.306 1.342 0.768 0.00 0.00 +0.015 A BRANCH 7 16 ATOM 14 N LIG 1 -6.822 2.720 0.283 0.00 0.00 -0.312 N ATOM 15 H LIG 1 -6.231 2.583 -0.525 0.00 0.00 +0.149 HD ATOM 16 C LIG 1 -6.708 1.845 1.346 0.00 0.00 +0.244 C ATOM 17 O LIG 1 -7.534 1.762 2.248 0.00 0.00 -0.270 OA BRANCH 14 19 ATOM 18 C LIG 1 -9.140 2.830 -0.523 0.00 0.00 +0.024 C ATOM 19 C LIG 1 -7.985 3.569 0.130 0.00 0.00 +0.101 C ENDBRANCH 14 19 ENDBRANCH 7 16 ENDBRANCH 1 11 BRANCH 4 20 ATOM 20 C LIG 1 1.853 -0.870 1.942 0.00 0.00 +0.119 C BRANCH 20 21 ATOM 21 C LIG 1 2.900 -0.559 0.893 0.00 0.00 -0.031 A ATOM 22 C LIG 1 3.641 -1.591 0.301 0.00 0.00 +0.031 A ATOM 23 C LIG 1 4.616 -1.299 -0.657 0.00 0.00 +0.051 A ATOM 24 C LIG 1 4.873 0.019 -1.060 0.00 0.00 +0.020 A ATOM 25 C LIG 1 5.910 0.258 -2.094 0.00 0.00 +0.045 A ATOM 26 N LIG 1 6.118 1.550 -2.573 0.00 0.00 -0.343 N ATOM 27 H LIG 1 5.280 2.124 -2.548 0.00 0.00 +0.146 HD ATOM 28 C LIG 1 6.930 1.781 -3.763 0.00 0.00 +0.102 C ATOM 29 C LIG 1 8.147 0.865 -3.732 0.00 0.00 +0.023 C ATOM 30 C LIG 1 7.720 -0.599 -3.583 0.00 0.00 +0.044 C ATOM 31 C LIG 1 6.629 -0.783 -2.562 0.00 0.00 +0.038 A ATOM 32 C LIG 1 6.362 -2.176 -2.112 0.00 0.00 +0.254 A ATOM 33 O LIG 1 7.000 -3.131 -2.546 0.00 0.00 -0.268 OA ATOM 34 C LIG 1 4.147 1.048 -0.442 0.00 0.00 +0.012 A ATOM 35 N LIG 1 5.358 -2.350 -1.204 0.00 0.00 -0.322 N ATOM 36 H LIG 1 5.189 -3.302 -0.911 0.00 0.00 +0.169 HD ATOM 37 C LIG 1 3.170 0.762 0.520 0.00 0.00 +0.005 A ENDBRANCH 20 21 ENDBRANCH 4 20 TORSDOF 5