REMARK Name = BDB014087 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.480 0.992 4.105 0.00 0.00 +0.172 C ATOM 2 N LIG 1 3.221 0.467 2.785 0.00 0.00 -0.272 N ATOM 3 N LIG 1 3.310 -0.854 2.576 0.00 0.00 -0.165 NA ATOM 4 C LIG 1 3.018 -1.016 1.271 0.00 0.00 +0.168 A ATOM 5 C LIG 1 2.863 -2.368 0.692 0.00 0.00 +0.266 C ATOM 6 N LIG 1 2.033 -2.417 -0.414 0.00 0.00 -0.306 N ATOM 7 H LIG 1 1.608 -1.553 -0.724 0.00 0.00 +0.149 HD ATOM 8 C LIG 1 1.422 -3.659 -0.843 0.00 0.00 +0.141 C ATOM 9 C LIG 1 0.051 -3.412 -1.415 0.00 0.00 -0.012 A ATOM 10 C LIG 1 -0.843 -2.516 -0.812 0.00 0.00 +0.018 A ATOM 11 C LIG 1 -2.079 -2.220 -1.401 0.00 0.00 +0.020 A ATOM 12 C LIG 1 -2.895 -1.111 -0.825 0.00 0.00 +0.093 A ATOM 13 N LIG 1 -2.316 -0.322 0.029 0.00 0.00 -0.168 NA ATOM 14 N LIG 1 -2.996 0.783 0.490 0.00 0.00 -0.225 N ATOM 15 C LIG 1 -2.246 1.683 1.367 0.00 0.00 +0.182 C ATOM 16 C LIG 1 -1.158 2.447 0.637 0.00 0.00 -0.025 A ATOM 17 C LIG 1 -0.033 1.769 0.138 0.00 0.00 +0.018 A ATOM 18 C LIG 1 0.966 2.446 -0.576 0.00 0.00 +0.037 A ATOM 19 C LIG 1 2.083 1.705 -1.228 0.00 0.00 +0.248 C ATOM 20 N LIG 1 2.538 0.521 -0.687 0.00 0.00 -0.278 N ATOM 21 H LIG 1 3.080 -0.038 -1.339 0.00 0.00 +0.155 HD ATOM 22 O LIG 1 2.503 2.082 -2.320 0.00 0.00 -0.270 OA ATOM 23 C LIG 1 0.839 3.820 -0.794 0.00 0.00 +0.013 A ATOM 24 C LIG 1 -0.267 4.508 -0.289 0.00 0.00 +0.001 A ATOM 25 C LIG 1 -1.262 3.826 0.417 0.00 0.00 +0.005 A ATOM 26 C LIG 1 -4.281 1.112 0.090 0.00 0.00 +0.268 A ATOM 27 O LIG 1 -4.899 2.115 0.437 0.00 0.00 -0.266 OA ATOM 28 C LIG 1 -4.938 0.141 -0.812 0.00 0.00 +0.074 A ATOM 29 C LIG 1 -4.296 -0.939 -1.263 0.00 0.00 +0.035 A ATOM 30 C LIG 1 -2.398 -2.910 -2.561 0.00 0.00 +0.120 A ATOM 31 N LIG 1 -1.594 -3.841 -3.136 0.00 0.00 -0.262 NA ATOM 32 C LIG 1 -0.390 -4.064 -2.558 0.00 0.00 +0.116 A ATOM 33 O LIG 1 3.353 -3.384 1.178 0.00 0.00 -0.268 OA ATOM 34 C LIG 1 2.779 0.258 0.655 0.00 0.00 +0.084 A ATOM 35 C LIG 1 2.881 1.176 1.674 0.00 0.00 +0.132 A ENDROOT TORSDOF 0