REMARK Name = BDB005642 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.955 1.182 0.121 0.00 0.00 +0.131 A ATOM 2 C LIG 1 0.278 -0.051 0.077 0.00 0.00 +0.061 A ATOM 3 C LIG 1 1.067 -1.214 0.101 0.00 0.00 +0.055 A ATOM 4 N LIG 1 0.463 -2.474 0.041 0.00 0.00 -0.322 N ATOM 5 H LIG 1 1.023 -3.316 0.054 0.00 0.00 +0.169 HD ATOM 6 C LIG 1 -0.885 -2.668 -0.040 0.00 0.00 +0.254 A ATOM 7 C LIG 1 -1.738 -1.453 -0.052 0.00 0.00 +0.038 A ATOM 8 C LIG 1 -3.228 -1.669 -0.114 0.00 0.00 +0.044 C ATOM 9 C LIG 1 -4.009 -0.388 -0.433 0.00 0.00 +0.023 C ATOM 10 C LIG 1 -3.436 0.803 0.326 0.00 0.00 +0.102 C ATOM 11 N LIG 1 -2.016 0.906 0.032 0.00 0.00 -0.343 N ATOM 12 H LIG 1 -1.548 1.724 0.428 0.00 0.00 +0.146 HD ATOM 13 O LIG 1 -1.362 -3.798 -0.090 0.00 0.00 -0.268 OA ATOM 14 C LIG 1 2.464 -1.155 0.188 0.00 0.00 +0.032 A ATOM 15 C LIG 1 3.118 0.080 0.258 0.00 0.00 -0.017 A ATOM 16 C LIG 1 -1.199 -0.218 0.010 0.00 0.00 +0.048 A ATOM 17 C LIG 1 2.352 1.248 0.236 0.00 0.00 +0.052 A ENDROOT BRANCH 1 19 ATOM 18 C LIG 1 0.296 2.951 -1.188 0.00 0.00 +0.277 C ATOM 19 O LIG 1 0.271 2.376 0.122 0.00 0.00 -0.494 OA ENDBRANCH 1 19 BRANCH 15 20 ATOM 20 C LIG 1 4.615 0.138 0.392 0.00 0.00 +0.191 C BRANCH 20 21 ATOM 21 O LIG 1 5.010 -0.254 1.699 0.00 0.00 -0.390 OA ATOM 22 H LIG 1 4.261 -0.092 2.297 0.00 0.00 +0.210 HD ENDBRANCH 20 21 ENDBRANCH 15 20 TORSDOF 3