REMARK Name = BDB007318 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.279 0.783 1.863 0.00 0.00 +0.037 A ATOM 2 C LIG 1 -3.254 0.270 1.112 0.00 0.00 +0.056 A ATOM 3 N LIG 1 -2.568 -0.877 1.281 0.00 0.00 -0.316 N ATOM 4 H LIG 1 -2.772 -1.500 2.056 0.00 0.00 +0.152 HD ATOM 5 C LIG 1 -1.543 -1.262 0.419 0.00 0.00 +0.016 C ATOM 6 C LIG 1 -0.854 -2.563 0.756 0.00 0.00 +0.058 C ATOM 7 C LIG 1 0.550 -2.717 0.134 0.00 0.00 -0.023 C ATOM 8 C LIG 1 0.993 -4.188 0.246 0.00 0.00 +0.011 C ATOM 9 C LIG 1 1.582 -1.851 0.889 0.00 0.00 +0.011 C ATOM 10 C LIG 1 0.494 -2.317 -1.347 0.00 0.00 +0.086 C ATOM 11 C LIG 1 -0.107 -0.943 -1.558 0.00 0.00 +0.162 C ATOM 12 O LIG 1 0.262 -0.237 -2.497 0.00 0.00 -0.292 OA ATOM 13 C LIG 1 -1.190 -0.492 -0.640 0.00 0.00 +0.024 C ATOM 14 C LIG 1 -1.871 0.841 -0.953 0.00 0.00 +0.087 C ATOM 15 C LIG 1 -2.960 1.148 0.044 0.00 0.00 +0.003 A ATOM 16 C LIG 1 -3.855 2.196 0.149 0.00 0.00 +0.089 A ATOM 17 N LIG 1 -4.628 1.978 1.266 0.00 0.00 -0.363 N ATOM 18 H LIG 1 -5.354 2.602 1.595 0.00 0.00 +0.165 HD ENDROOT BRANCH 14 19 ATOM 19 C LIG 1 -0.939 2.045 -0.902 0.00 0.00 -0.034 A ATOM 20 C LIG 1 0.044 2.171 0.090 0.00 0.00 +0.019 A ATOM 21 C LIG 1 0.985 3.206 0.034 0.00 0.00 +0.016 A ATOM 22 C LIG 1 0.884 4.188 -0.956 0.00 0.00 +0.015 A ATOM 23 C LIG 1 -0.124 4.108 -1.912 0.00 0.00 +0.001 A ATOM 24 C LIG 1 -1.020 3.037 -1.896 0.00 0.00 +0.004 A BRANCH 21 25 ATOM 25 S LIG 1 2.393 3.182 1.123 0.00 0.00 -0.052 S BRANCH 25 26 ATOM 26 C LIG 1 3.376 1.976 0.341 0.00 0.00 +0.172 A ATOM 27 N LIG 1 3.077 1.427 -0.877 0.00 0.00 -0.333 N ATOM 28 H LIG 1 2.278 1.644 -1.453 0.00 0.00 +0.168 HD ATOM 29 C LIG 1 4.069 0.536 -1.194 0.00 0.00 +0.067 A ATOM 30 C LIG 1 4.941 0.597 -0.113 0.00 0.00 +0.090 A ATOM 31 C LIG 1 6.097 -0.197 -0.123 0.00 0.00 +0.030 A ATOM 32 C LIG 1 6.335 -1.027 -1.226 0.00 0.00 +0.002 A ATOM 33 C LIG 1 5.435 -1.069 -2.294 0.00 0.00 +0.002 A ATOM 34 C LIG 1 4.271 -0.287 -2.301 0.00 0.00 +0.028 A ATOM 35 N LIG 1 4.495 1.491 0.831 0.00 0.00 -0.222 NA ENDBRANCH 25 26 ENDBRANCH 21 25 ENDBRANCH 14 19 BRANCH 1 37 ATOM 36 C LIG 1 -6.108 -0.661 2.738 0.00 0.00 +0.010 C ATOM 37 C LIG 1 -4.970 0.285 3.085 0.00 0.00 +0.052 C ENDBRANCH 1 37 TORSDOF 4