REMARK Name = BDB032433 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.116 0.544 -0.421 0.00 0.00 +0.215 A ATOM 2 N LIG 1 -1.539 0.876 -1.658 0.00 0.00 -0.221 NA ATOM 3 C LIG 1 -0.742 0.520 -2.687 0.00 0.00 +0.115 A ATOM 4 C LIG 1 0.458 -0.158 -2.539 0.00 0.00 +0.025 A ATOM 5 C LIG 1 0.876 -0.501 -1.251 0.00 0.00 -0.024 A ATOM 6 C LIG 1 0.066 -0.134 -0.171 0.00 0.00 +0.072 A ENDROOT BRANCH 1 7 ATOM 7 O LIG 1 -1.874 0.870 0.685 0.00 0.00 -0.476 OA BRANCH 7 8 ATOM 8 C LIG 1 -3.078 1.589 0.404 0.00 0.00 +0.234 C BRANCH 8 13 ATOM 9 C LIG 1 -7.411 -0.957 -0.781 0.00 0.00 +0.105 C ATOM 10 N LIG 1 -6.787 -0.728 0.509 0.00 0.00 -0.302 NA ATOM 11 C LIG 1 -6.518 0.685 0.841 0.00 0.00 +0.057 C ATOM 12 C LIG 1 -5.563 1.375 -0.154 0.00 0.00 +0.026 C ATOM 13 C LIG 1 -4.230 0.633 0.074 0.00 0.00 +0.032 C ATOM 14 C LIG 1 -4.591 -0.327 1.239 0.00 0.00 +0.011 C ATOM 15 C LIG 1 -5.601 0.488 2.044 0.00 0.00 +0.024 C ATOM 16 C LIG 1 -5.499 -1.430 0.672 0.00 0.00 +0.088 C ENDBRANCH 8 13 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 5 17 ATOM 17 C LIG 1 2.177 -1.227 -1.017 0.00 0.00 +0.137 C BRANCH 17 18 ATOM 18 N LIG 1 3.124 -0.310 -0.399 0.00 0.00 -0.339 N ATOM 19 H LIG 1 3.090 0.609 -0.831 0.00 0.00 +0.146 HD BRANCH 18 20 ATOM 20 C LIG 1 4.455 -0.705 -0.157 0.00 0.00 +0.035 A ATOM 21 C LIG 1 5.409 0.262 0.298 0.00 0.00 +0.008 A ATOM 22 C LIG 1 6.748 -0.130 0.547 0.00 0.00 +0.023 A ATOM 23 C LIG 1 7.669 0.861 0.956 0.00 0.00 +0.124 A ATOM 24 N LIG 1 7.345 2.149 1.161 0.00 0.00 -0.240 NA ATOM 25 C LIG 1 6.062 2.494 0.959 0.00 0.00 +0.113 A ATOM 26 C LIG 1 7.104 -1.485 0.399 0.00 0.00 +0.012 A ATOM 27 C LIG 1 6.164 -2.436 0.020 0.00 0.00 +0.003 A ATOM 28 C LIG 1 5.084 1.612 0.534 0.00 0.00 +0.030 A ATOM 29 C LIG 1 4.853 -2.048 -0.243 0.00 0.00 +0.023 A BRANCH 23 30 ATOM 30 N LIG 1 9.018 0.567 1.188 0.00 0.00 -0.343 N ATOM 31 H LIG 1 9.456 1.452 1.435 0.00 0.00 +0.144 HD ATOM 32 H LIG 1 9.440 0.166 0.359 0.00 0.00 +0.144 HD ENDBRANCH 23 30 ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 5 17 TORSDOF 7